N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide

C19H21ClN2O — CID 44555473

IUPACN-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O/c1-19(15-6-3-2-4-7-15)12-5-13-22(14-19)18(23)21-17-10-8-16(20)9-11-17/h2-4,6-11H,5,12-14H2,1H3,(H,21,23)
InChIKeyKXYUVZFKXATOCP-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.93
Rot. Bonds2

About N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide

N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 44555473) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID44555473
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O/c1-19(15-6-3-2-4-7-15)12-5-13-22(14-19)18(23)21-17-10-8-16(20)9-11-17/h2-4,6-11H,5,12-14H2,1H3,(H,21,23)
InChIKeyKXYUVZFKXATOCP-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide (CID 44555473) is N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is KXYUVZFKXATOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-19(15-6-3-2-4-7-15)12-5-13-22(14-19)18(23)21-17-10-8-16(20)9-11-17/h2-4,6-11H,5,12-14H2,1H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 328.84 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 44555473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).