4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one

C18H19N3O3 — CID 70741390

IUPAC4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1ncccc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C18H19N3O3/c1-13-5-7-14(8-6-13)21-11-10-20(12-16(21)22)18(23)15-4-3-9-19-17(15)24-2/h3-9H,10-12H2,1-2H3
InChIKeyAFGBUEDZXIRSEB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.89
Rot. Bonds3

About 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one

4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70741390) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
PubChem CID70741390
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1ncccc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1
InChIInChI=1S/C18H19N3O3/c1-13-5-7-14(8-6-13)21-11-10-20(12-16(21)22)18(23)15-4-3-9-19-17(15)24-2/h3-9H,10-12H2,1-2H3
InChIKeyAFGBUEDZXIRSEB-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

4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70767057
4-(2-cyclopropylpyridine-3-carbonyl)-1-phenylpiperazin-2-one
CID 127881306
(5R)-4-(2-ethoxypyridine-3-carbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580033
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70711644

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one (CID 70741390) is 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one is COc1ncccc1C(=O)N1CCN(c2ccc(C)cc2)C(=O)C1.
What is the InChIKey of 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is AFGBUEDZXIRSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-7-14(8-6-13)21-11-10-20(12-16(21)22)18(23)15-4-3-9-19-17(15)24-2/h3-9H,10-12H2,1-2H3.
What are the key properties of 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)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 4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70741390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).