4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

C25H32ClN3O — CID 44560242

IUPAC4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30)
InChIKeyOLLPWANHULOQCI-UHFFFAOYSA-N
MW426.00 g/mol
LogP5.40
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 44560242) has the molecular formula C25H32ClN3O and a molecular weight of 426.00 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID44560242
Molecular FormulaC25H32ClN3O
Molecular Weight426.00 g/mol
Exact Mass425.22
IUPAC Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30)
InChIKeyOLLPWANHULOQCI-UHFFFAOYSA-N
XLogP5.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.00
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
Cumyluron
CID 11709249
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
Norchlorcyclizine, (-)-
CID 668697
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-(1-Benzyl-piperidin-4-yl)-4-(4-chloro-phenyl)-5-methyl-1,3-dihydro-imidazol-2-one
CID 10643588
N-(4-chlorophenethyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42643589
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(p-tolyl)methyl]piperazine-1-carboxamide
CID 44177373
N-cyclohexyl-4-[(S)-(2,4-dichlorophenyl)-(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 56930624
3-[4-[2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1,1-dimethylurea
CID 146025779

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (CID 44560242) is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is Cc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is OLLPWANHULOQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O/c1-19-7-5-6-10-23(19)24(20-11-13-21(26)14-12-20)28-15-17-29(18-16-28)25(30)27-22-8-3-2-4-9-22/h5-7,10-14,22,24H,2-4,8-9,15-18H2,1H3,(H,27,30).
What are the key properties of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 426.00 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 44560242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).