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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:38 UTC
Update Date2025-03-25 00:59:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237035
Frequency0.5
Structure
Chemical FormulaC18H18N2O2
Molecular Mass294.1368
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccccn2)CC1
InChI KeyKQSDESMLCVKOQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • 2-heteroaryl carboxamides
  • aryl alkyl ketones
  • azacyclic compounds
  • benzoyl derivatives
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-acylpiperidines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyridinecarboxylic acids and derivatives
  • tertiary carboxylic acid amides
    • Substituents
  • pyridine carboxylic acid or derivatives
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • carboxylic acid derivative
  • 2-heteroaryl carboxamide
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • piperidine
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • n-acyl-piperidine
  • pyridine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone