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T7G : Summary

Code

T7G

One-letter code

X

Molecule name

1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide
OpenEye OEToolkits 2.0.7 1-ethanoyl-~{N}-(2-hydroxyphenyl)piperidine-4-carboxamide

Formula

C14 H18 N2 O3

Formal charge

0

Molecular weight

262.304 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N2(CCC(C(Nc1ccccc1O)=O)CC2)C(C)=O
SMILES CACTVS 3.385 CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O
Canonical SMILES CACTVS 3.385 CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(CC1)C(=O)Nc2ccccc2O

IUPAC InChI

InChI=1S/C14H18N2O3/c1-10(17)16-8-6-11(7-9-16)14(19)15-12-4-2-3-5-13(12)18/h2-5,11,18H,6-9H2,1H3,(H,15,19)

IUPAC InChI key

YKBMCZDLJSTFOC-UHFFFAOYSA-N
T7G

wwPDB Information

Atom count

37 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-16

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned