6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one

C20H26N4O2 — CID 53081997

IUPAC6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCCC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C20H26N4O2/c1-4-19(25)23-13-11-22(12-14-23)18-9-10-20(26)24(21-18)17-7-5-16(6-8-17)15(2)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyFUUCCZLPXQCONH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.41
Rot. Bonds4

About 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one

6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one (PubChem CID 53081997) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
PubChem CID53081997
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one
SMILESCCC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C20H26N4O2/c1-4-19(25)23-13-11-22(12-14-23)18-9-10-20(26)24(21-18)17-7-5-16(6-8-17)15(2)3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyFUUCCZLPXQCONH-UHFFFAOYSA-N
XLogP2.41
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081890
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
6-[4-(2-ethoxyacetyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081415
6-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 50789133
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
2-(3,4-dimethylphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081750
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
2-(4-chlorophenyl)-6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridazin-3-one
CID 53081894
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832

Frequently Asked Questions

What is the IUPAC name of 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The IUPAC name of 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one (CID 53081997) is 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The canonical SMILES for 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one is CCC(=O)N1CCN(c2ccc(=O)n(-c3ccc(C(C)C)cc3)n2)CC1.
What is the InChIKey of 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
The InChIKey is FUUCCZLPXQCONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-19(25)23-13-11-22(12-14-23)18-9-10-20(26)24(21-18)17-7-5-16(6-8-17)15(2)3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one?
6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one has a molecular weight of 354.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propanoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)pyridazin-3-one is sourced from PubChem (CID 53081997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).