DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:47 UTC
Update Date	2025-03-25 00:53:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200786
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₄N₄O₂
Molecular Mass	340.1899
SMILES	COc1ccc2nccc(N3CCN(C(=O)C4CCCN4)CC3)c2c1
InChI Key	AOIXAEZAHSORFM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazinanes
Subclass	piperazines
Direct Parent	pyridinylpiperazines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines 4-aminoquinolines alkyl aryl ethers alpha amino acid amides alpha amino acids aminopyridines and derivatives anisoles azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkylamines dialkylarylamines heteroaromatic compounds hydrocarbon derivatives methylpyridines n-arylpiperazines organic oxides organopnictogen compounds polyhalopyridines pyrrolidinecarboxamides tertiary carboxylic acid amides
Substituents	phenol ether carbonyl group ether amino acid or derivatives polyhalopyridine alpha-amino acid or derivatives alkyl aryl ether carboxylic acid derivative organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine pyridinylpiperazine tertiary carboxylic acid amide organonitrogen compound quinoline alpha-amino acid organopnictogen compound 2-halopyridine dialkylarylamine pyrrolidine aminopyridine tertiary amine secondary aliphatic amine alpha-amino acid amide 4-aminoquinoline azacycle heteroaromatic compound methylpyridine secondary amine carboxamide group pyridine pyrrolidine carboxylic acid or derivatives organic oxygen compound anisole aminoquinoline hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide amine n-arylpiperazine organooxygen compound

Showing information for DMID02200786