1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide

C22H24N4O — CID 131938691

IUPAC1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cccc(-n3cccn3)c2)(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c1-25-15-11-22(12-16-25,18-7-3-2-4-8-18)21(27)24-19-9-5-10-20(17-19)26-14-6-13-23-26/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,27)
InChIKeyOIFYKWHFEOTNDY-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.47
Rot. Bonds4

About 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide

1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 131938691) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID131938691
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cccc(-n3cccn3)c2)(c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c1-25-15-11-22(12-16-25,18-7-3-2-4-8-18)21(27)24-19-9-5-10-20(17-19)26-14-6-13-23-26/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,27)
InChIKeyOIFYKWHFEOTNDY-UHFFFAOYSA-N
XLogP3.47
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-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 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide (CID 131938691) is 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide is CN1CCC(C(=O)Nc2cccc(-n3cccn3)c2)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is OIFYKWHFEOTNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-15-11-22(12-16-25,18-7-3-2-4-8-18)21(27)24-19-9-5-10-20(17-19)26-14-6-13-23-26/h2-10,13-14,17H,11-12,15-16H2,1H3,(H,24,27).
What are the key properties of 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide?
1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-N-(3-pyrazol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 131938691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).