RCSB PDB - WZP Ligand Summary Page

WZP

2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one

Created: 2020-11-19
Last modified:  2021-06-30

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count36
Aromatic Bond Count0
2D diagram of WZP

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Chemical Component Summary

Name2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Systematic Name (OpenEye OEToolkits)2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
FormulaC11 H22 N2 O
Molecular Weight198.305
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C1CN(C(C(C)C)=O)CCN1C(C)C
SMILESCACTVS3.385CC(C)N1CCN(CC1)C(=O)C(C)C
SMILESOpenEye OEToolkits2.0.7CC(C)C(=O)N1CCN(CC1)C(C)C
Canonical SMILESCACTVS3.385 CC(C)N1CCN(CC1)C(=O)C(C)C
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)C(=O)N1CCN(CC1)C(C)C
InChIInChI1.03 InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
InChIKeyInChI1.03 PVZWQFPZWARZQU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53512755