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A1BR4

Summary
Name:(3S)-1-[(2S)-2-phenyl-3-(pyrrolidin-1-yl)propanoyl]piperidine-3-carboxamide
Formula:C19 H27 N3 O2
Formal charge:0
Formula weight:329.437 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2S)-2-phenyl-3-(pyrrolidin-1-yl)propanoyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2~{R})-2-phenyl-3-pyrrolidin-1-yl-propanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C(CN1CCCC1)c1ccccc1)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C19H27N3O2/c20-18(23)16-9-6-12-22(13-16)19(24)17(14-21-10-4-5-11-21)15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-14H2,(H2,20,23)/t16-,17+/m0/s1
InChIKeyInChI1.06NBHKSQZOSDYBJT-DLBZAZTESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)[C@@H](CN2CCCC2)c3ccccc3
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)[CH](CN2CCCC2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)[C@H](CN2CCCC2)C(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)C(CN2CCCC2)C(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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