(3,5-dimethylphenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CHEBI:176822)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(3,5-dimethylphenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

ChEBI ID	CHEBI:176822

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H24N4O

Net Charge

Average Mass

312.417

Monoisotopic Mass

312.19501

InChI

InChI=1S/C18H24N4O/c1-4-17-20-19-12-22(17)16-5-7-21(8-6-16)18(23)15-10-13(2)9-14(3)11-15/h9-12,16H,4-8H2,1-3H3

InChIKey

MZPBUXZORJWTFP-UHFFFAOYSA-N

SMILES

O=C(N1CCC(N2C(=NN=C2)CC)CC1)C3=CC(=CC(=C3)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	(3,5-dimethylphenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CHEBI:176822) is a N-acylpiperidine (CHEBI:48591) (3,5-dimethylphenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CHEBI:176822) is a benzamides (CHEBI:22702)

IUPAC Name

(3,5-dimethylphenyl)-[4-(3-ethyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone