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

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Related Compounds

3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
(2S,3R)-2-(1-methylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)oxolane-3-carboxamide
CID 136583187
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
4-phenyl-2-(3-pyrazol-1-ylanilino)benzoic acid
CID 68959231
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131903388
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
(3R)-3-methyl-N-(3-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 94190145

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).