N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide

C22H28ClN3O2 — CID 162677393

IUPACN-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide
SMILESCN(C)CC1CN(C(=O)N(C)c2cccc(Cl)c2)CCC1(O)c1ccccc1
InChIInChI=1S/C22H28ClN3O2/c1-24(2)15-18-16-26(13-12-22(18,28)17-8-5-4-6-9-17)21(27)25(3)20-11-7-10-19(23)14-20/h4-11,14,18,28H,12-13,15-16H2,1-3H3
InChIKeyXQGUKZSZQJGLOX-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.67
Rot. Bonds4

About N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide

N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide (PubChem CID 162677393) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide
PubChem CID162677393
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide
SMILESCN(C)CC1CN(C(=O)N(C)c2cccc(Cl)c2)CCC1(O)c1ccccc1
InChIInChI=1S/C22H28ClN3O2/c1-24(2)15-18-16-26(13-12-22(18,28)17-8-5-4-6-9-17)21(27)25(3)20-11-7-10-19(23)14-20/h4-11,14,18,28H,12-13,15-16H2,1-3H3
InChIKeyXQGUKZSZQJGLOX-UHFFFAOYSA-N
XLogP3.67
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-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-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide (CID 162677393) is N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide is CN(C)CC1CN(C(=O)N(C)c2cccc(Cl)c2)CCC1(O)c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide?
The InChIKey is XQGUKZSZQJGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-24(2)15-18-16-26(13-12-22(18,28)17-8-5-4-6-9-17)21(27)25(3)20-11-7-10-19(23)14-20/h4-11,14,18,28H,12-13,15-16H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide?
N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide has a molecular weight of 401.94 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-N-methyl-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 162677393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).