N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide

C34H33Cl2N3O2 — CID 3879115

IUPACN-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C34H33Cl2N3O2/c35-30-13-11-27(22-31(30)36)33(40)38-28-12-14-32(29(23-28)34(41)37-18-15-24-7-3-1-4-8-24)39-19-16-26(17-20-39)21-25-9-5-2-6-10-25/h1-14,22-23,26H,15-21H2,(H,37,41)(H,38,40)
InChIKeyCENPTDZYBDCYNG-UHFFFAOYSA-N
MW586.56 g/mol
LogP7.68
Rot. Bonds9

About N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide

N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide (PubChem CID 3879115) has the molecular formula C34H33Cl2N3O2 and a molecular weight of 586.56 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
PubChem CID3879115
Molecular FormulaC34H33Cl2N3O2
Molecular Weight586.56 g/mol
Exact Mass585.19
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C34H33Cl2N3O2/c35-30-13-11-27(22-31(30)36)33(40)38-28-12-14-32(29(23-28)34(41)37-18-15-24-7-3-1-4-8-24)39-19-16-26(17-20-39)21-25-9-5-2-6-10-25/h1-14,22-23,26H,15-21H2,(H,37,41)(H,38,40)
InChIKeyCENPTDZYBDCYNG-UHFFFAOYSA-N
XLogP7.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.56
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide 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

5-benzamido-2-(4-benzylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 24717040
2-(4-benzylpiperidin-1-yl)-5-[[(2S)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967321
2-(4-benzylpiperidin-1-yl)-5-[[(2R)-2-chloropropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92967322
5-[(4-chlorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 3661404
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638
2-(4-benzylpiperidin-1-yl)-5-[(2,3-dimethylphenyl)carbamoylamino]-N-(2-phenylethyl)benzamide
CID 42659015
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1063922
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(4-ethylbenzoyl)amino]benzamide
CID 3341979
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 5219081
N-[4-(4-methylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42757099
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 42661889

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide (CID 3879115) is N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCc2ccccc2)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide?
The InChIKey is CENPTDZYBDCYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33Cl2N3O2/c35-30-13-11-27(22-31(30)36)33(40)38-28-12-14-32(29(23-28)34(41)37-18-15-24-7-3-1-4-8-24)39-19-16-26(17-20-39)21-25-9-5-2-6-10-25/h1-14,22-23,26H,15-21H2,(H,37,41)(H,38,40).
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide?
N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide has a molecular weight of 586.56 g/mol, XLogP of 7.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)-3-(2-phenylethylcarbamoyl)phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 3879115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).