N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide

C17H24ClN3O — CID 6462460

IUPACN-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H24ClN3O/c18-14-6-8-15(9-7-14)19-17(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13H2,(H,19,22)
InChIKeyXDMDESGUHBKKJZ-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.82
Rot. Bonds2

About N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide

N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide (PubChem CID 6462460) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide
PubChem CID6462460
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC NameN-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H24ClN3O/c18-14-6-8-15(9-7-14)19-17(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13H2,(H,19,22)
InChIKeyXDMDESGUHBKKJZ-UHFFFAOYSA-N
XLogP3.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide (CID 6462460) is N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide?
The InChIKey is XDMDESGUHBKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-14-6-8-15(9-7-14)19-17(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16/h6-9,16H,1-5,10-13H2,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide?
N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 6462460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).