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

C25H30Cl3N3O — CID 44560201

IUPAC4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
InChIKeyAQPNOTUHFDEZEY-UHFFFAOYSA-N
MW494.89 g/mol
LogP6.79
Rot. Bonds4

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

4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide (PubChem CID 44560201) has the molecular formula C25H30Cl3N3O and a molecular weight of 494.89 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
PubChem CID44560201
Molecular FormulaC25H30Cl3N3O
Molecular Weight494.89 g/mol
Exact Mass493.15
IUPAC Name4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32)
InChIKeyAQPNOTUHFDEZEY-UHFFFAOYSA-N
XLogP6.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.89
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-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
1-[(2,4-Dichlorophenyl)(phenyl)methyl]-4-(piperidin-1-ylcarbonyl)piperazine
CID 44177146
N-Butyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177148
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]-piperazine-1-carboxamide
CID 44177149

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide (CID 44560201) is 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide is O=C(NC1CCCCCC1)N1CCN(C(c2ccc(Cl)cc2)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
The InChIKey is AQPNOTUHFDEZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl3N3O/c26-19-12-10-18(11-13-19)24(21-8-5-9-22(27)23(21)28)30-14-16-31(17-15-30)25(32)29-20-6-3-1-2-4-7-20/h5,8-13,20,24H,1-4,6-7,14-17H2,(H,29,32).
What are the key properties of 4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-(2,3-dichlorophenyl)methyl]-N-cycloheptylpiperazine-1-carboxamide has a molecular weight of 494.89 g/mol, XLogP of 6.79, 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-cycloheptylpiperazine-1-carboxamide is sourced from PubChem (CID 44560201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).