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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:06 UTC
Update Date2025-03-21 18:31:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00084010
Frequency34.2
Structure
Chemical FormulaC11H15N3O
Molecular Mass205.1215
SMILESCC(=O)N1CCN(c2cccnc2)CC1
InChI KeyCENWPCAQCAYBCH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aminopyridines and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-arylpiperazines
  • organic oxides
  • organopnictogen compounds
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • acetamide
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound