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A1BTG

Summary
Name:(3S)-1-[(2S)-2-methoxy-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide
Formula:C16 H22 N2 O4
Formal charge:0
Formula weight:306.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2S)-2-methoxy-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2~{R})-2-methoxy-2-(2-methoxyphenyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C(OC)c1ccccc1OC)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C16H22N2O4/c1-21-13-8-4-3-7-12(13)14(22-2)16(20)18-9-5-6-11(10-18)15(17)19/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,19)/t11-,14-/m0/s1
InChIKeyInChI1.06SGKREISFYQPEPI-FZMZJTMJSA-N
SMILES_CANONICALCACTVS3.385CO[C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2ccccc2OC
SMILESCACTVS3.385CO[CH](C(=O)N1CCC[CH](C1)C(N)=O)c2ccccc2OC
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1[C@H](C(=O)N2CCC[C@@H](C2)C(=O)N)OC
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1C(C(=O)N2CCCC(C2)C(=O)N)OC

248636

PDB entries from 2026-02-04

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