CHEBI:125944 - (1S,5R)-N-cyclopentyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,5R)-N-cyclopentyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
ChEBI ID CHEBI:125944
Stars This entity has been manually annotated by a third party.
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Formula C22H26N4O
Net Charge 0
Average Mass 362.469
Monoisotopic Mass 362.21066
InChI InChI=1S/C22H26N4O/c27-22(25-18-5-1-2-6-18)26-19-13-24-14-20(26)21(19)16-9-7-15(8-10-16)17-4-3-11-23-12-17/h3-4,7-12,18-21,24H,1-2,5-6,13-14H2,(H,25,27)/t19-,20+,21?
InChIKey NLCKAQRYGVHNGD-WCRBZPEASA-N
SMILES C1CCC(C1)NC(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CN=CC=C5
ChEBI Ontology
Outgoing (1S,5R)-N-cyclopentyl-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (CHEBI:125944) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-37511 LINCS
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