N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide

C29H31Cl3N2O2 — CID 19029370

IUPACN-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide
SMILESCN(C(=O)CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C29H31Cl3N2O2/c1-33(25-10-8-24(30)9-11-25)28(35)20-22(21-7-12-26(31)27(32)19-21)13-16-34-17-14-29(36,15-18-34)23-5-3-2-4-6-23/h2-12,19,22,36H,13-18,20H2,1H3
InChIKeyOAQHYCFYNZRBRW-UHFFFAOYSA-N
MW545.94 g/mol
LogP7.16
Rot. Bonds8

About N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide

N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide (PubChem CID 19029370) has the molecular formula C29H31Cl3N2O2 and a molecular weight of 545.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide
PubChem CID19029370
Molecular FormulaC29H31Cl3N2O2
Molecular Weight545.94 g/mol
Exact Mass544.15
IUPAC NameN-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide
SMILESCN(C(=O)CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C29H31Cl3N2O2/c1-33(25-10-8-24(30)9-11-25)28(35)20-22(21-7-12-26(31)27(32)19-21)13-16-34-17-14-29(36,15-18-34)23-5-3-2-4-6-23/h2-12,19,22,36H,13-18,20H2,1H3
InChIKeyOAQHYCFYNZRBRW-UHFFFAOYSA-N
XLogP7.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.94
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide (CID 19029370) is N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide is CN(C(=O)CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide?
The InChIKey is OAQHYCFYNZRBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31Cl3N2O2/c1-33(25-10-8-24(30)9-11-25)28(35)20-22(21-7-12-26(31)27(32)19-21)13-16-34-17-14-29(36,15-18-34)23-5-3-2-4-6-23/h2-12,19,22,36H,13-18,20H2,1H3.
What are the key properties of N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide?
N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide has a molecular weight of 545.94 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3,4-dichlorophenyl)-5-(4-hydroxy-4-phenylpiperidin-1-yl)-N-methylpentanamide is sourced from PubChem (CID 19029370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).