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UAQ : Summary

Code

UAQ

One-letter code

X

Molecule name

~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide

Formula

C12 H18 N2 O2

Formal charge

0

Molecular weight

222.284 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)NCc2occc2
SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)NCc2ccco2
Canonical SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)NCc2occc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)NCc2ccco2

IUPAC InChI

InChI=1S/C12H18N2O2/c1-10-4-6-14(7-5-10)12(15)13-9-11-3-2-8-16-11/h2-3,8,10H,4-7,9H2,1H3,(H,13,15)

IUPAC InChI key

WVQSALJZZLSNAY-UHFFFAOYSA-N
UAQ

wwPDB Information

Atom count

34 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-02-09

Last modified at

2022-02-18

Status

Released

Obsoleted

Not Assigned