2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide

C32H37Cl3N2O2 — CID 54299123

IUPAC2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide
SMILESCOc1ccc(CN2CCC(CCC(CN(C)C(=O)Cc3cccc(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C32H37Cl3N2O2/c1-36(32(38)19-25-4-3-5-28(33)18-25)22-27(26-10-13-30(34)31(35)20-26)9-6-23-14-16-37(17-15-23)21-24-7-11-29(39-2)12-8-24/h3-5,7-8,10-13,18,20,23,27H,6,9,14-17,19,21-22H2,1-2H3
InChIKeySCYAEXRJHNTZKH-UHFFFAOYSA-N
MW588.02 g/mol
LogP8.13
Rot. Bonds11

About 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide

2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide (PubChem CID 54299123) has the molecular formula C32H37Cl3N2O2 and a molecular weight of 588.02 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide
PubChem CID54299123
Molecular FormulaC32H37Cl3N2O2
Molecular Weight588.02 g/mol
Exact Mass586.19
IUPAC Name2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide
SMILESCOc1ccc(CN2CCC(CCC(CN(C)C(=O)Cc3cccc(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C32H37Cl3N2O2/c1-36(32(38)19-25-4-3-5-28(33)18-25)22-27(26-10-13-30(34)31(35)20-26)9-6-23-14-16-37(17-15-23)21-24-7-11-29(39-2)12-8-24/h3-5,7-8,10-13,18,20,23,27H,6,9,14-17,19,21-22H2,1-2H3
InChIKeySCYAEXRJHNTZKH-UHFFFAOYSA-N
XLogP8.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.02
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide 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

2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[methoxy(phenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide;hydrochloride
CID 139618789
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
N-[2-(3,4-dichlorophenyl)-4-[4-(3-methoxyphenyl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
CID 19029117
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
N-[2-(3,4-dichlorophenyl)-4-[4-(2,5-dimethoxyphenyl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
CID 19029122
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
N-[5-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)pentyl]-N-methyl-2-phenylacetamide;hydrochloride
CID 70181188
bis(N-[2-(3,4-dichlorophenyl)-4-(4-phenylpyridin-1-ium-1-yl)butyl]-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide);dichloride;hydrate
CID 139705675
1-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine;oxalic acid
CID 17366067
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide (CID 54299123) is 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide is COc1ccc(CN2CCC(CCC(CN(C)C(=O)Cc3cccc(Cl)c3)c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide?
The InChIKey is SCYAEXRJHNTZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37Cl3N2O2/c1-36(32(38)19-25-4-3-5-28(33)18-25)22-27(26-10-13-30(34)31(35)20-26)9-6-23-14-16-37(17-15-23)21-24-7-11-29(39-2)12-8-24/h3-5,7-8,10-13,18,20,23,27H,6,9,14-17,19,21-22H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide?
2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide has a molecular weight of 588.02 g/mol, XLogP of 8.13, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(3,4-dichlorophenyl)-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]butyl]-N-methylacetamide is sourced from PubChem (CID 54299123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).