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A1BRF

Summary
Name:(3S)-1-{[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]methyl}-6-oxopiperidine-3-carboxamide
Formula:C16 H20 N2 O3
Formal charge:0
Formula weight:288.342 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(C1)CC1CCOc2ccccc21
InChIInChI1.06InChI=1S/C16H20N2O3/c17-16(20)12-5-6-15(19)18(10-12)9-11-7-8-21-14-4-2-1-3-13(11)14/h1-4,11-12H,5-10H2,(H2,17,20)/t11-,12+/m1/s1
InChIKeyInChI1.06OIEVYMFVQRAVHG-NEPJUHHUSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)C[C@H]2CCOc3ccccc23
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)C[CH]2CCOc3ccccc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)[C@H](CCO2)CN3C[C@H](CCC3=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)C(CCO2)CN3CC(CCC3=O)C(=O)N

248636

PDB entries from 2026-02-04

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