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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:14:54 UTC
Update Date2025-03-21 18:33:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00097844
Frequency28.2
Structure
Chemical FormulaC13H18FN3O
Molecular Mass251.1434
SMILESCC(=O)Nc1ccc(N2CCN(C)CC2)c(F)c1
InChI KeyFBAUDMQJVHZIIB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • amino acids and derivatives
  • aniline and substituted anilines
  • aryl fluorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • fluorobenzenes
  • hydrocarbon derivatives
  • m-haloacetanilides
  • n-acetylarylamines
  • n-arylpiperazines
  • n-methylpiperazines
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • aryl fluoride
  • monocyclic benzene moiety
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • n-arylamide
  • carboxylic acid derivative
  • organohalogen compound
  • haloacetanilide
  • fluorobenzene
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • acetamide
  • azacycle
  • acetanilide
  • organofluoride
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • carboxamide group
  • aryl halide
  • phenylpiperazine
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • n-arylpiperazine
  • m-haloacetanilide
  • organooxygen compound