1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

C23H26N4O — CID 24819654

IUPAC1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C23H26N4O/c1-17-5-2-3-6-19(17)15-27-14-4-7-20(16-27)23(28)25-21-10-8-18(9-11-21)22-12-13-24-26-22/h2-3,5-6,8-13,20H,4,7,14-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyPJXOUQLXCOFMLY-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.24
Rot. Bonds5

About 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 24819654) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID24819654
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C23H26N4O/c1-17-5-2-3-6-19(17)15-27-14-4-7-20(16-27)23(28)25-21-10-8-18(9-11-21)22-12-13-24-26-22/h2-3,5-6,8-13,20H,4,7,14-16H2,1H3,(H,24,26)(H,25,28)
InChIKeyPJXOUQLXCOFMLY-UHFFFAOYSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 24819654) is 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is PJXOUQLXCOFMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-5-2-3-6-19(17)15-27-14-4-7-20(16-27)23(28)25-21-10-8-18(9-11-21)22-12-13-24-26-22/h2-3,5-6,8-13,20H,4,7,14-16H2,1H3,(H,24,26)(H,25,28).
What are the key properties of 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).