Chemical Components in the PDB

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U9Z : Summary

Code

U9Z

One-letter code

X

Molecule name

4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

Formula

C14 H17 F3 N2 O

Formal charge

0

Molecular weight

286.293 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
Canonical SMILES CACTVS 3.385 CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 2.0.7 CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F

IUPAC InChI

InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)

IUPAC InChI key

GSJUDFGKALFBQN-UHFFFAOYSA-N
U9Z

wwPDB Information

Atom count

37 (20 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