2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one

C26H28N4O4 — CID 121050506

IUPAC2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1
InChIInChI=1S/C26H28N4O4/c1-3-34-23-10-6-21(7-11-23)24-12-13-25(32)30(27-24)18-26(33)29-16-14-28(15-17-29)22-8-4-20(5-9-22)19(2)31/h4-13H,3,14-18H2,1-2H3
InChIKeyUQLUSUSADONMJL-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.86
Rot. Bonds7

About 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one

2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one (PubChem CID 121050506) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one
PubChem CID121050506
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one
SMILESCCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1
InChIInChI=1S/C26H28N4O4/c1-3-34-23-10-6-21(7-11-23)24-12-13-25(32)30(27-24)18-26(33)29-16-14-28(15-17-29)22-8-4-20(5-9-22)19(2)31/h4-13H,3,14-18H2,1-2H3
InChIKeyUQLUSUSADONMJL-UHFFFAOYSA-N
XLogP2.86
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 121050347
6-(4-chlorophenyl)-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52898063
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-4-ylpyridazin-3-one
CID 121052740
6-(4-ethylphenyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121050965
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
6-(4-methoxyphenyl)-2-(2-oxo-2-thiomorpholin-4-ylethyl)pyridazin-3-one
CID 51044367
6-(4-ethylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121050859
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
4-(4-acetylphenyl)-N-(4-ethoxyphenyl)piperazine-1-carbothioamide
CID 17374928
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one (CID 121050506) is 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one is CCOc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)n2)cc1.
What is the InChIKey of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
The InChIKey is UQLUSUSADONMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-34-23-10-6-21(7-11-23)24-12-13-25(32)30(27-24)18-26(33)29-16-14-28(15-17-29)22-8-4-20(5-9-22)19(2)31/h4-13H,3,14-18H2,1-2H3.
What are the key properties of 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one?
2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one has a molecular weight of 460.53 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-ethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 121050506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).