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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:08 UTC
Update Date2025-03-25 00:55:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02213276
Frequency0.5
Structure
Chemical FormulaC16H20FN3O2
Molecular Mass305.154
SMILESCN1CCN(c2cc3c(cc2F)c(CC(=O)O)cn3C)CC1
InChI KeyCLRDPCUOQAPIEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • aryl fluorides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • n-alkylindoles
  • n-methylpiperazines
  • n-methylpyrroles
  • organic oxides
  • organofluorides
  • organopnictogen compounds
  • substituted pyrroles
  • trialkylamines
    • Substituents
  • aryl fluoride
  • carbonyl group
  • n-methylpyrrole
  • n-alkylindole
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • indole
  • substituted pyrrole
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • azacycle
  • organofluoride
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • indole or derivatives
  • aryl halide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound