1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one

C18H19N3O3 — CID 70722598

IUPAC1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(C)n3)CC2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-13-4-3-5-16(19-13)18(23)20-10-11-21(17(22)12-20)14-6-8-15(24-2)9-7-14/h3-9H,10-12H2,1-2H3
InChIKeyOGHSVFWRSKRNKF-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one

1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one (PubChem CID 70722598) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
PubChem CID70722598
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)c3cccc(C)n3)CC2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-13-4-3-5-16(19-13)18(23)20-10-11-21(17(22)12-20)14-6-8-15(24-2)9-7-14/h3-9H,10-12H2,1-2H3
InChIKeyOGHSVFWRSKRNKF-UHFFFAOYSA-N
XLogP1.89
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-(6-methylpyridine-2-carbonyl)piperidin-4-one
CID 24708249
2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]-2-oxoacetic acid
CID 167780535
1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 70763294
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
[4-(4-fluorophenyl)piperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110697414
4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126791529
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methylpyridazin-3-yl)methanone
CID 110705277
1-(4-methoxyphenyl)-4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperazin-2-one
CID 70769325
4-(6-aminopyridine-3-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one
CID 70717844
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
1-(4-methoxybenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873914

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one (CID 70722598) is 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one is COc1ccc(N2CCN(C(=O)c3cccc(C)n3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one?
The InChIKey is OGHSVFWRSKRNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-4-3-5-16(19-13)18(23)20-10-11-21(17(22)12-20)14-6-8-15(24-2)9-7-14/h3-9H,10-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one?
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one has a molecular weight of 325.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 70722598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).