3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C22H24N4O2 — CID 56744496

IUPAC3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H24N4O2/c1-15-9-10-19(21(27)24-15)22(28)26-11-5-8-17(14-26)20-18(13-23-25-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,25)(H,24,27)
InChIKeyFAUBGDLQNWXUAW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.02
Rot. Bonds4

About 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 56744496) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID56744496
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)c(=O)[nH]1
InChIInChI=1S/C22H24N4O2/c1-15-9-10-19(21(27)24-15)22(28)26-11-5-8-17(14-26)20-18(13-23-25-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,25)(H,24,27)
InChIKeyFAUBGDLQNWXUAW-UHFFFAOYSA-N
XLogP3.02
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 56744496) is 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCCC(c3[nH]ncc3Cc3ccccc3)C2)c(=O)[nH]1.
What is the InChIKey of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is FAUBGDLQNWXUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-9-10-19(21(27)24-15)22(28)26-11-5-8-17(14-26)20-18(13-23-25-20)12-16-6-3-2-4-7-16/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 56744496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).