4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one

C20H21N3O4 — CID 70711644

IUPAC4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(=O)[nH]c1C
InChIInChI=1S/C20H21N3O4/c1-12-4-6-15(7-5-12)23-9-8-22(11-18(23)25)20(27)17-10-16(14(3)24)13(2)21-19(17)26/h4-7,10H,8-9,11H2,1-3H3,(H,21,26)
InChIKeyFZVSVKGMXKABDA-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.68
Rot. Bonds3

About 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one

4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70711644) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
PubChem CID70711644
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCC(=O)c1cc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(=O)[nH]c1C
InChIInChI=1S/C20H21N3O4/c1-12-4-6-15(7-5-12)23-9-8-22(11-18(23)25)20(27)17-10-16(14(3)24)13(2)21-19(17)26/h4-7,10H,8-9,11H2,1-3H3,(H,21,26)
InChIKeyFZVSVKGMXKABDA-UHFFFAOYSA-N
XLogP1.68
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one (CID 70711644) is 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one is CC(=O)c1cc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)c(=O)[nH]c1C.
What is the InChIKey of 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is FZVSVKGMXKABDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-12-4-6-15(7-5-12)23-9-8-22(11-18(23)25)20(27)17-10-16(14(3)24)13(2)21-19(17)26/h4-7,10H,8-9,11H2,1-3H3,(H,21,26).
What are the key properties of 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 367.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70711644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).