6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one

C18H23N3O3 — CID 4074598

IUPAC6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
SMILESCOc1ccc(C2=CCC(=O)N(CC(=O)N3CCCCC3)N2)cc1
InChIInChI=1S/C18H23N3O3/c1-24-15-7-5-14(6-8-15)16-9-10-17(22)21(19-16)13-18(23)20-11-3-2-4-12-20/h5-9,19H,2-4,10-13H2,1H3
InChIKeyIMHJUXMZVISPMO-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.79
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one

6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one (PubChem CID 4074598) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
PubChem CID4074598
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
SMILESCOc1ccc(C2=CCC(=O)N(CC(=O)N3CCCCC3)N2)cc1
InChIInChI=1S/C18H23N3O3/c1-24-15-7-5-14(6-8-15)16-9-10-17(22)21(19-16)13-18(23)20-11-3-2-4-12-20/h5-9,19H,2-4,10-13H2,1H3
InChIKeyIMHJUXMZVISPMO-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
CID 4118469
3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
CID 4281759
butyl-[2-[[2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]-methylazanium
CID 3477391
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 3303097
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42814433
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
1-[2-(azepan-1-yl)-2-oxoethyl]-5-(4-methoxyphenyl)-6,7-dimethyl-3H-thieno[2,3-e][1,4]diazepin-2-one
CID 3742449
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 26666754
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
(2S)-N-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94447591
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one (CID 4074598) is 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one is COc1ccc(C2=CCC(=O)N(CC(=O)N3CCCCC3)N2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one?
The InChIKey is IMHJUXMZVISPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-24-15-7-5-14(6-8-15)16-9-10-17(22)21(19-16)13-18(23)20-11-3-2-4-12-20/h5-9,19H,2-4,10-13H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one?
6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one has a molecular weight of 329.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 4074598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).