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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:07 UTC
Update Date2025-03-25 01:00:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242658
Frequency0.5
Structure
Chemical FormulaC12H17N3O
Molecular Mass219.1372
SMILESCC(=O)N1CCC(Nc2cccnc2)CC1
InChI KeyAFBGMYLRSCZWSQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass n-acylpiperidines
Direct Parent n-acylpiperidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organic oxides
  • organopnictogen compounds
  • secondary alkylarylamines
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • n-acyl-piperidine
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound