Chemical Components in the PDB

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7V7 : Summary

Code

7V7

One-letter code

X

Molecule name

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
OpenEye OEToolkits 2.0.6 ~{N}-phenyl-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Formula

C22 H28 N2 O

Formal charge

0

Molecular weight

336.471 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C2CC(N(c1ccccc1)C(CC)=O)CCN2CCc3ccccc3
SMILES CACTVS 3.385 CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3
SMILES OpenEye OEToolkits 2.0.6 CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3
Canonical SMILES CACTVS 3.385 CCC(=O)N(C1CCN(CC1)CCc2ccccc2)c3ccccc3
Canonical SMILES OpenEye OEToolkits 2.0.6 CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3

IUPAC InChI

InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

IUPAC InChI key

PJMPHNIQZUBGLI-UHFFFAOYSA-N
7V7

wwPDB Information

Atom count

53 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-12-06

Last modified at

2017-09-29

Status

Released

Obsoleted

Not Assigned