2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one

C24H24N4O4 — CID 55828960

IUPAC2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1
InChIInChI=1S/C24H24N4O4/c1-32-20-9-7-19(8-10-20)24(31)27-15-13-26(14-16-27)23(30)17-28-22(29)12-11-21(25-28)18-5-3-2-4-6-18/h2-12H,13-17H2,1H3
InChIKeyKWWIAVZMHSVADK-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.90
Rot. Bonds5

About 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one

2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one (PubChem CID 55828960) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
PubChem CID55828960
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1
InChIInChI=1S/C24H24N4O4/c1-32-20-9-7-19(8-10-20)24(31)27-15-13-26(14-16-27)23(30)17-28-22(29)12-11-21(25-28)18-5-3-2-4-6-18/h2-12H,13-17H2,1H3
InChIKeyKWWIAVZMHSVADK-UHFFFAOYSA-N
XLogP1.90
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55824562
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 121050347
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51044367
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
2-(4-methoxyphenoxy)-1-[4-(4-phenylbenzoyl)piperazin-1-yl]ethanone
CID 2877986
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
1-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 46578919
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one (CID 55828960) is 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one is COc1ccc(C(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1.
What is the InChIKey of 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The InChIKey is KWWIAVZMHSVADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-32-20-9-7-19(8-10-20)24(31)27-15-13-26(14-16-27)23(30)17-28-22(29)12-11-21(25-28)18-5-3-2-4-6-18/h2-12H,13-17H2,1H3.
What are the key properties of 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one has a molecular weight of 432.48 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 55828960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).