1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide

C24H28N4O2 — CID 27234475

IUPAC1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H28N4O2/c1-18-22(24(30)28(26(18)2)21-11-7-4-8-12-21)25-23(29)20-13-15-27(16-14-20)17-19-9-5-3-6-10-19/h3-12,20H,13-17H2,1-2H3,(H,25,29)
InChIKeyVOOWMLWMWZTWPP-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.34
Rot. Bonds5

About 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide

1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 27234475) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID27234475
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H28N4O2/c1-18-22(24(30)28(26(18)2)21-11-7-4-8-12-21)25-23(29)20-13-15-27(16-14-20)17-19-9-5-3-6-10-19/h3-12,20H,13-17H2,1-2H3,(H,25,29)
InChIKeyVOOWMLWMWZTWPP-UHFFFAOYSA-N
XLogP3.34
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide (CID 27234475) is 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(Cc3ccccc3)CC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is VOOWMLWMWZTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-22(24(30)28(26(18)2)21-11-7-4-8-12-21)25-23(29)20-13-15-27(16-14-20)17-19-9-5-3-6-10-19/h3-12,20H,13-17H2,1-2H3,(H,25,29).
What are the key properties of 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide?
1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 27234475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).