Chemical Components in the PDB

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8YH : Summary

Code

8YH

One-letter code

X

Molecule name

~{N}-butyl-4-methyl-piperidine-1-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-butyl-4-methyl-piperidine-1-carboxamide

Formula

C11 H22 N2 O

Formal charge

0

Molecular weight

198.305 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCNC(=O)N1CCC(C)CC1
SMILES OpenEye OEToolkits 2.0.6 CCCCNC(=O)N1CCC(CC1)C
Canonical SMILES CACTVS 3.385 CCCCNC(=O)N1CCC(C)CC1
Canonical SMILES OpenEye OEToolkits 2.0.6 CCCCNC(=O)N1CCC(CC1)C

IUPAC InChI

InChI=1S/C11H22N2O/c1-3-4-7-12-11(14)13-8-5-10(2)6-9-13/h10H,3-9H2,1-2H3,(H,12,14)

IUPAC InChI key

GASMLRFTKRLWLW-UHFFFAOYSA-N
8YH

wwPDB Information

Atom count

36 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-24

Last modified at

2017-11-10

Status

Released

Obsoleted

Not Assigned