Hmdb loader

Showing information for DMID00116643

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:36 UTC
Update Date2025-03-21 18:37:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00116643
Frequency22.5
Structure
Chemical FormulaC15H19N3O
Molecular Mass257.1528
SMILESCOc1ccc2nccc(N3CCN(C)CC3)c2c1
InChI KeyNCIJSVKRKVUJAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent pyridinylpiperazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4-aminoquinolines
  • alkyl aryl ethers
  • aminopyridines and derivatives
  • anisoles
  • azacyclic compounds
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-arylpiperazines
  • n-methylpiperazines
  • organopnictogen compounds
  • polyhalopyridines
  • trialkylamines
    • Substituents
  • phenol ether
  • ether
  • polyhalopyridine
  • alkyl aryl ether
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • pyridinylpiperazine
  • organonitrogen compound
  • quinoline
  • organopnictogen compound
  • 2-halopyridine
  • dialkylarylamine
  • aminopyridine
  • tertiary amine
  • 4-aminoquinoline
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • methylpyridine
  • pyridine
  • organic oxygen compound
  • anisole
  • aminoquinoline
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound