2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one

C20H25N3O2 — CID 5068260

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CC(C)CC(C)C3)n2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-4-6-17(7-5-14)18-8-9-19(24)23(21-18)13-20(25)22-11-15(2)10-16(3)12-22/h4-9,15-16H,10-13H2,1-3H3
InChIKeyXCFQRCXAPXSOQF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds3

About 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 5068260) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID5068260
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CC(C)CC(C)C3)n2)cc1
InChIInChI=1S/C20H25N3O2/c1-14-4-6-17(7-5-14)18-8-9-19(24)23(21-18)13-20(25)22-11-15(2)10-16(3)12-22/h4-9,15-16H,10-13H2,1-3H3
InChIKeyXCFQRCXAPXSOQF-UHFFFAOYSA-N
XLogP2.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one (CID 5068260) is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CC(C)CC(C)C3)n2)cc1.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is XCFQRCXAPXSOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-4-6-17(7-5-14)18-8-9-19(24)23(21-18)13-20(25)22-11-15(2)10-16(3)12-22/h4-9,15-16H,10-13H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 339.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 5068260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).