6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one

C18H22N4O3 — CID 53081939

IUPAC6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
SMILESCOCC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-14-3-5-15(6-4-14)22-17(23)8-7-16(19-22)20-9-11-21(12-10-20)18(24)13-25-2/h3-8H,9-13H2,1-2H3
InChIKeyDBICHADEVXADJF-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.84
Rot. Bonds4

About 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one

6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one (PubChem CID 53081939) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
PubChem CID53081939
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
SMILESCOCC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)cc3)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-14-3-5-15(6-4-14)22-17(23)8-7-16(19-22)20-9-11-21(12-10-20)18(24)13-25-2/h3-8H,9-13H2,1-2H3
InChIKeyDBICHADEVXADJF-UHFFFAOYSA-N
XLogP0.84
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(2-ethoxyacetyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081415
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
6-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081452
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081997
1-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid
CID 53214226
N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335226
2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081890
N-(2,4-dimethylphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335237
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053948
2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121034137

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one (CID 53081939) is 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one is COCC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C)cc3)n2)CC1.
What is the InChIKey of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
The InChIKey is DBICHADEVXADJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-14-3-5-15(6-4-14)22-17(23)8-7-16(19-22)20-9-11-21(12-10-20)18(24)13-25-2/h3-8H,9-13H2,1-2H3.
What are the key properties of 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one?
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one has a molecular weight of 342.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 53081939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).