N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide

C23H24N4O2 — CID 46472669

IUPACN-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(17-18-7-9-21(10-8-18)27-14-4-13-24-27)26-15-11-19(12-16-26)23(29)25-20-5-2-1-3-6-20/h1-10,13-14,19H,11-12,15-17H2,(H,25,29)
InChIKeyWTAODANOXLXDOM-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.29
Rot. Bonds5

About N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide

N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 46472669) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID46472669
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(17-18-7-9-21(10-8-18)27-14-4-13-24-27)26-15-11-19(12-16-26)23(29)25-20-5-2-1-3-6-20/h1-10,13-14,19H,11-12,15-17H2,(H,25,29)
InChIKeyWTAODANOXLXDOM-UHFFFAOYSA-N
XLogP3.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 25477192
N-(1-ethylpyrazol-4-yl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-4-carboxamide
CID 86882196
5-methyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-3-carboxylic acid
CID 122118594
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 78875687
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 51947513

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide (CID 46472669) is N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is WTAODANOXLXDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(17-18-7-9-21(10-8-18)27-14-4-13-24-27)26-15-11-19(12-16-26)23(29)25-20-5-2-1-3-6-20/h1-10,13-14,19H,11-12,15-17H2,(H,25,29).
What are the key properties of N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide?
N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 46472669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).