<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 08:38:58 UTC</creation_date>
  <update_date>2026-08-30 08:38:58 UTC</update_date>
  <accession/>
  <common_name>N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-n-phenylpropanamide</common_name>
  <class>SmallMolecule</class>
  <description>N-[3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-n-phenylpropanamide is a compound with the formula C21H28N2OS. It has an average molecular weight of 356.50 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H28N2OS</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>356.1922347</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>86052-04-2</cas_registry_number>
  <smiles>CCC(=O)N(C1CCN(CC1C)CCC2=CC=CS2)C3=CC=CC=C3</smiles>
  <inchi>InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3</inchi>
  <inchikey>SRARDYUHGVMEQI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>3-Methylthiofentanyl Action Pathway</name>
      <smpdb_id>SMP0000679</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>3-Methylthiofentanyl Opioid Agonist Action Pathway</name>
      <smpdb_id>SMP0125012</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>356.1922347</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCC(=O)N(C1CCN(CC1C)CCC2=CC=CS2)C3=CC=CC=C3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H28N2OS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)20-12-14-22(16-17(20)2)13-11-19-10-7-15-25-19/h4-10,15,17,20H,3,11-14,16H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SRARDYUHGVMEQI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727943cd10&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>62296</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
