Benzoic acid, 4-[[4-(1h-indol-4-yl)-1-piperazinyl]methyl]-, 1,1-dimethylethyl ester (CHEBI:184027)

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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	Benzoic acid, 4-[[4-(1h-indol-4-yl)-1-piperazinyl]methyl]-, 1,1-dimethylethyl ester

ChEBI ID	CHEBI:184027

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H29N3O2

Net Charge

Average Mass

391.515

Monoisotopic Mass

391.22598

InChI

InChI=1S/C24H29N3O2/c1-24(2,3)29-23(28)19-9-7-18(8-10-19)17-26-13-15-27(16-14-26)22-6-4-5-21-20(22)11-12-25-21/h4-12,25H,13-17H2,1-3H3

InChIKey

WVPYSZULKPMZLZ-UHFFFAOYSA-N

SMILES

O(C(C)(C)C)C(=O)C1=CC=C(CN2CCN(CC2)C=3C4=C(NC=C4)C=CC3)C=C1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	Benzoic acid, 4-[[4-(1h-indol-4-yl)-1-piperazinyl]methyl]-, 1,1-dimethylethyl ester (CHEBI:184027) is a N-arylpiperazine (CHEBI:46848)

IUPAC Name

tert-butyl 4-[[4-(1H-indol-4-yl)piperazin-1-yl]methyl]benzoate