Chemical Components in the PDB

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UA8 : Summary

Code

UA8

One-letter code

X

Molecule name

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

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide

Formula

C14 H26 N2 O

Formal charge

0

Molecular weight

238.369 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)NC2CCCCCC2
SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)NC2CCCCCC2
Canonical SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)NC2CCCCCC2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)NC2CCCCCC2

IUPAC InChI

InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)

IUPAC InChI key

RBBIAFZDUSBCMN-UHFFFAOYSA-N
UA8

wwPDB Information

Atom count

43 (17 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