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5WZ : Summary

Code

5WZ

One-letter code

X

Molecule name

(4-azanylpiperidin-1-yl)-cyclopropyl-methanone

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (4-azanylpiperidin-1-yl)-cyclopropyl-methanone

Formula

C9 H16 N2 O

Formal charge

0

Molecular weight

168.236 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC1CCN(CC1)C(=O)C2CC2
SMILES OpenEye OEToolkits 2.0.4 C1CC1C(=O)N2CCC(CC2)N
Canonical SMILES CACTVS 3.385 NC1CCN(CC1)C(=O)C2CC2
Canonical SMILES OpenEye OEToolkits 2.0.4 C1CC1C(=O)N2CCC(CC2)N

IUPAC InChI

InChI=1S/C9H16N2O/c10-8-3-5-11(6-4-8)9(12)7-1-2-7/h7-8H,1-6,10H2

IUPAC InChI key

GCYSQXZPDQBVCH-UHFFFAOYSA-N
5WZ

wwPDB Information

Atom count

28 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-12-17

Last modified at

2016-01-08

Status

Released

Obsoleted

Not Assigned