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A1B10

Summary
Name:(3S)-1-[(2R)-2-(1,2-benzoxazol-3-yl)propanoyl]piperidine-3-carboxamide
Formula:C16 H19 N3 O3
Formal charge:0
Formula weight:301.34 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)C(C)c1noc2ccccc21
InChIInChI1.06InChI=1S/C16H19N3O3/c1-10(14-12-6-2-3-7-13(12)22-18-14)16(21)19-8-4-5-11(9-19)15(17)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,17,20)/t10-,11+/m1/s1
InChIKeyInChI1.06YGQQTIGGJIFJGJ-MNOVXSKESA-N
SMILES_CANONICALCACTVS3.385C[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2noc3ccccc23
SMILESCACTVS3.385C[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2noc3ccccc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@H](c1c2ccccc2on1)C(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0CC(c1c2ccccc2on1)C(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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