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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:42 UTC
Update Date2025-03-25 00:57:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225953
Frequency0.5
Structure
Chemical FormulaC15H21Cl2N3O
Molecular Mass329.1062
SMILESCC(=O)NCCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChI KeyQFAZLAVMOGLTGR-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 chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylarylamines
  • dichlorobenzenes
  • hydrocarbon derivatives
  • n-alkylpiperazines
  • n-arylpiperazines
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • organochloride
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • dialkylarylamine
  • tertiary amine
  • acetamide
  • aryl chloride
  • chlorobenzene
  • azacycle
  • aniline or substituted anilines
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • carboxamide group
  • aryl halide
  • phenylpiperazine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine
  • n-arylpiperazine
  • organooxygen compound