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UPJ : Summary

Code

UPJ

One-letter code

X

Molecule name

1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
OpenEye OEToolkits 2.0.7 1-ethanoyl-~{N}-methyl-~{N}-phenyl-piperidine-4-carboxamide

Formula

C15 H20 N2 O2

Formal charge

0

Molecular weight

260.331 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O
SMILES CACTVS 3.385 CN(C(=O)C1CCN(CC1)C(C)=O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2
Canonical SMILES CACTVS 3.385 CN(C(=O)C1CCN(CC1)C(C)=O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCC(CC1)C(=O)N(C)c2ccccc2

IUPAC InChI

InChI=1S/C15H20N2O2/c1-12(18)17-10-8-13(9-11-17)15(19)16(2)14-6-4-3-5-7-14/h3-7,13H,8-11H2,1-2H3

IUPAC InChI key

UGFUNCZTAQSFHR-UHFFFAOYSA-N
UPJ

wwPDB Information

Atom count

39 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-05-26

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned