2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one

C18H23N3O3 — CID 16675984

IUPAC2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESCC(C)(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17(23)20-10-8-13(9-11-20)21-16(22)7-6-14(19-21)15-5-4-12-24-15/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLIIOBSDVYIRHSF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.71
Rot. Bonds2

About 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one

2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 16675984) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID16675984
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESCC(C)(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C18H23N3O3/c1-18(2,3)17(23)20-10-8-13(9-11-20)21-16(22)7-6-14(19-21)15-5-4-12-24-15/h4-7,12-13H,8-11H2,1-3H3
InChIKeyLIIOBSDVYIRHSF-UHFFFAOYSA-N
XLogP2.71
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
CID 16671081
2-[1-(Cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671082
4-Amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
CID 16676621
2-[1-(Cyclobutanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one
CID 92427424
4-[3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92427426
2-[1-(Cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one
CID 95803126
N-cyclohexyl-2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 7658271
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(furan-2-yl)ethanimine
CID 9660365
2-ethyl-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)butanamide
CID 16905522
[5-(2-Furyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL](2-methyl-1-piperidinyl)methanone
CID 22515295
1-Cyclohexyl-3-{2-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]ethyl}urea
CID 25816825
N-{3-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}cyclopropanecarboxamide
CID 25881833

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one (CID 16675984) is 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one is CC(C)(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1.
What is the InChIKey of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is LIIOBSDVYIRHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,3)17(23)20-10-8-13(9-11-20)21-16(22)7-6-14(19-21)15-5-4-12-24-15/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 329.40 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 16675984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).