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

C24H29Cl2N3O — CID 44560218

IUPAC4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
InChIKeyPKRBTURWWKDDGX-UHFFFAOYSA-N
MW446.42 g/mol
LogP5.74
Rot. Bonds4

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

4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 44560218) has the molecular formula C24H29Cl2N3O and a molecular weight of 446.42 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID44560218
Molecular FormulaC24H29Cl2N3O
Molecular Weight446.42 g/mol
Exact Mass445.17
IUPAC Name4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30)
InChIKeyPKRBTURWWKDDGX-UHFFFAOYSA-N
XLogP5.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 55.74
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
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (CID 44560218) is 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is PKRBTURWWKDDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O/c25-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)26)28-14-16-29(17-15-28)24(30)27-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,27,30).
What are the key properties of 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 446.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 44560218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).