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A1BOR

Summary
Name:(3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C14 H16 N2 O4
Formal charge:0
Formula weight:276.288 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2H-1,3-benzodioxol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-(1,3-benzodioxol-4-ylmethyl)-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(C1)Cc1cccc2OCOc12
InChIInChI1.06InChI=1S/C14H16N2O4/c15-14(18)10-4-5-12(17)16(7-10)6-9-2-1-3-11-13(9)20-8-19-11/h1-3,10H,4-8H2,(H2,15,18)/t10-/m0/s1
InChIKeyInChI1.06UTPQMVYOLBXEQO-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2cccc3OCOc23
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3OCOc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)OCO2)CN3C[C@H](CCC3=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)OCO2)CN3CC(CCC3=O)C(=O)N

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PDB entries from 2026-02-04

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