1.0 2016-05-25 18:19:40 UTC 2026-08-22 01:00:05 UTC Piperacillin SmallMolecule Piperacillin is a compound with the chemical formula C23H27N5O7S. Piperacillin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 517.55 g/mol, Piperacillin is a heavy molecule. The compound is found in or released from 11 recorded sources. These include healthcare, pharmaceuticals & veterinary products such as antibiotics and penicillins, and food, food processing & cookware, specifically processing meats. It is also associated with household cleaning & consumer products, including tobacco pipes, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. Additionally, it is linked to electrical & electronic equipment, such as video games, television systems, electrically stimulated smoking devices, and electric hearing aids. Recorded exposure routes for the compound include oral, intravenous, intramuscular, inhalation, and parenteral administration. In terms of biological activity, Piperacillin interacts with four recorded protein targets. It acts as an inhibitor of serine-type D-Ala-D-Ala carboxypeptidase (pbp3) and targets penicillin-binding protein 1b (pbp1b), penicillin-binding protein 2a (pbp2a), and penicillin-binding protein 2B (penA). Human Neurotoxin C23H27N5O7S 517.555 517.163118933 (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid piperacillin 66258-76-2 [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 IVBHGBMCVLDMKU-GXNBUGAJSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides Alpha amino acid amides Azacyclic compounds Azetidines Carbonyl compounds Carboxylic acids Dialkylthioethers Dicarboximides Dioxopiperazines Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl ureas N-acyl-alpha amino acids and derivatives N-alkylpiperazines N-carbamoyl-alpha amino acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Penicillins Phenylacetamides Piperazine carboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides Thiazolidines Thiohemiaminal derivatives 1,4-diazinane Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Azetidine Benzenoid Beta-lactam Carbonic acid derivative Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Dicarboximide Dioxopiperazine Hemithioaminal Hydrocarbon derivative Lactam Monocarboxylic acid or derivatives Monocyclic benzene moiety N-acyl urea N-acyl-alpha amino acid or derivatives N-alkylpiperazine N-carbamoyl-alpha-amino acid or derivatives N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Penam Penicillin Phenylacetamide Piperazine Piperazine-1-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide Thiazolidine Thioether Urea Ureide Aromatic heteropolycyclic compounds penicillin Detected and Not Quantified Piperacillin Drug Metabolism Action Pathway SMP0142778 logp -0.26 logp 0.67 ALOGPS logs -3.64 ALOGPS solubility 1.19e-01 g/l ALOGPS logp -0.26 ChemAxon pka_strongest_acidic 3.49 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2S,5R,6R)-6-[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid ChemAxon average_mass 517.555 ChemAxon mono_mass 517.163118933 ChemAxon smiles [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)C1=CC=CC=C1)C(O)=O ChemAxon formula C23H27N5O7S ChemAxon inchi InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 ChemAxon inchikey IVBHGBMCVLDMKU-GXNBUGAJSA-N ChemAxon polar_surface_area 156.43 ChemAxon refractivity 126.3 ChemAxon polarizability 51.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226275700> DB00319 43672 39798 BE0004643 BE0003624 BE0004644 BE0004335