4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

C24H28Cl3N3O — CID 44560231

IUPAC4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
InChIKeyBWRQQTYERKIARX-UHFFFAOYSA-N
MW480.87 g/mol
LogP6.40
Rot. Bonds4

About 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide

4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 44560231) has the molecular formula C24H28Cl3N3O and a molecular weight of 480.87 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID44560231
Molecular FormulaC24H28Cl3N3O
Molecular Weight480.87 g/mol
Exact Mass479.13
IUPAC Name4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31)
InChIKeyBWRQQTYERKIARX-UHFFFAOYSA-N
XLogP6.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N-(3,4-dichlorobenzyl)-4-isopropylpiperazine-1-carboxamide
CID 44418576
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]-piperazine-1-carbothioamide
CID 44177150
N-benzhydryl-4-[(2,3-dichlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11512086
N-benzhydryl-4-[(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11526129
N-benzhydryl-4-[(2-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11620221
N-benzhydryl-4-[(3-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11663287
3-(1-(3-Chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16124705
3-(1-(4-Chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125568

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide (CID 44560231) is 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is BWRQQTYERKIARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl3N3O/c25-18-11-9-17(10-12-18)23(20-7-4-8-21(26)22(20)27)29-13-15-30(16-14-29)24(31)28-19-5-2-1-3-6-19/h4,7-12,19,23H,1-3,5-6,13-16H2,(H,28,31).
What are the key properties of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 480.87 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 44560231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).