1-(1-Oxobut-2-enyl)piperidine (CED0139978)

Record Information
Version1.0
Creation Date2026-04-04 22:21:28 UTC
Update Date2026-04-04 22:21:28 UTC
Accession NumberCHEM083590
Identification
Common Name1-(1-Oxobut-2-enyl)piperidine
ClassSmall Molecule
Description
1-(1-Oxobut-2-enyl)piperidine belongs to the n-acylpiperidines, a subclass of piperidines within the organic compounds. This organoheterocyclic compound has the chemical formula C9H15NO.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H15NO
Average Molecular MassNot Available
Monoisotopic Mass153.115 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C9H15NO/c1-2-6-9(11)10-7-4-3-5-8-10/h2,6H,3-5,7-8H2,1H3
InChI KeyDEHSTVNSEJEWPR-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2137.0Log mg/kg[1200:3800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)483.132
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)44.6855
Click to view 3D structureDelta-type opioid receptorP32300Mus musculusPredicted (SEA)418.44
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)247.249
G-protein coupled receptor 183 structureClick to view 3D structureG-protein coupled receptor 183P32249HumansPredicted (SEA)232.925
CXXC-type zinc finger protein 5 structureClick to view 3D structureCXXC-type zinc finger protein 5Q7LFL8HumansPredicted (SEA)37.6012
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)896.356
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)688.654
Click to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)503.996
Click to view 3D structureLegumain-like proteaseQ6PRC7Ixodes ricinusPredicted (SEA)71.8548
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)6653.54
Click to view 3D structureMu-type opioid receptorP42866Mus musculusPredicted (SEA)769.929
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)2549.33
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)3243.2
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)1992.01
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)2235.13
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)6782.69
Lysosomal acid lipase/cholesteryl ester hydrolase structureClick to view 3D structureLysosomal acid lipase/cholesteryl ester hydrolaseP38571HumansPredicted (SEA)24.3668
Click to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8K424Mus musculusPredicted (SEA)336.387
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)541.597
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7141.11
Click to view 3D structureScm-like with four MBT domains protein 1Q9UHJ3HumansPredicted (SEA)210.971
PHD finger protein 23 structureClick to view 3D structurePHD finger protein 23Q9BUL5HumansPredicted (SEA)210.971
Click to view 3D structureLethal(3)malignant brain tumor-like protein 4Q8NA19HumansPredicted (SEA)210.971
F-box/LRR-repeat protein 19 structureClick to view 3D structureF-box/LRR-repeat protein 19Q6PCT2HumansPredicted (SEA)78.2385
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available