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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:53 UTC
Update Date2025-03-21 18:28:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073898
Frequency40.3
Structure
Chemical FormulaC13H17N3O2
Molecular Mass247.1321
SMILESO=C1NC(Cc2ccc[nH]2)C(=O)N2CCCCC12
InChI KeyIRGQRPPAUALSRI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperazinopiperidines
Subclass piperazinopiperidines
Direct Parent piperazinopiperidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2,5-dioxopiperazines
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • n-alkylpiperazines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidines
  • pyrroles
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • lactam
  • alpha-amino acid or derivatives
  • 2,5-dioxopiperazine
  • carboxylic acid derivative
  • organic oxide
  • dioxopiperazine
  • piperazine
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • piperidine
  • piperazino-1,2-a-piperidine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • 1,4-diazinane
  • pyrrole
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound