P0I

4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide

Created:2022-05-20
Last modified:  2022-11-23

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count0
Bond Count68
Aromatic Bond Count12
2D diagram of P0I

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Chemical Component Summary

Name4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)4-[3-(2-cyclohexylethoxy)phenyl]carbonyl-~{N}-phenyl-piperazine-1-carboxamide
FormulaC26 H33 N3 O3
Molecular Weight435.559
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC2CCCCC2)c1
SMILESCACTVS3.385O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3cccc(c3)OCCC4CCCCC4
Canonical SMILESCACTVS3.385 O=C(Nc1ccccc1)N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3cccc(c3)OCCC4CCCCC4
InChIInChI1.03 InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31)
InChIKeyInChI1.03 LWLAYULJAJMPKG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 68301145