Chemical Components in the PDB

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0OL : Summary

Code

0OL

One-letter code

X

Molecule name

phenyl(piperidin-1-yl)methanone

Systematic names

ProgramVersionName
ACDLabs 12.01 phenyl(piperidin-1-yl)methanone
OpenEye OEToolkits 1.7.6 phenyl(piperidin-1-yl)methanone

Formula

C12 H15 N O

Formal charge

0

Molecular weight

189.254 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1ccccc1)N2CCCCC2
SMILES CACTVS 3.370 O=C(N1CCCCC1)c2ccccc2
SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C(=O)N2CCCCC2
Canonical SMILES CACTVS 3.370 O=C(N1CCCCC1)c2ccccc2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)C(=O)N2CCCCC2

IUPAC InChI

InChI=1S/C12H15NO/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-10H2

IUPAC InChI key

YXTROGRGRSPWKL-UHFFFAOYSA-N
0OL

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-04-03

Last modified at

2012-11-30

Status

Released

Obsoleted

Not Assigned