N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C21H22N4O — CID 166207366

IUPACN-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C21H22N4O/c26-21(25-14-4-7-18(15-25)20-12-13-22-24-20)23-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2,(H,22,24)(H,23,26)
InChIKeyKKZLLZICYHDUPB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.49
Rot. Bonds3

About N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 166207366) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID166207366
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C21H22N4O/c26-21(25-14-4-7-18(15-25)20-12-13-22-24-20)23-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2,(H,22,24)(H,23,26)
InChIKeyKKZLLZICYHDUPB-UHFFFAOYSA-N
XLogP4.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 124562913
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
N-[4-methoxy-3-(methylcarbamoyl)phenyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 118762325
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
(2-anilinopyrimidin-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95229346
(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 125164615
2-oxo-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 119042237
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
(1-phenylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126466165
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 166207366) is N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KKZLLZICYHDUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(25-14-4-7-18(15-25)20-12-13-22-24-20)23-19-10-8-17(9-11-19)16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2,(H,22,24)(H,23,26).
What are the key properties of N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166207366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).