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

C17H21N3O3 — CID 16671081

IUPAC6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
SMILESCC(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C17H21N3O3/c1-12(2)17(22)19-9-7-13(8-10-19)20-16(21)6-5-14(18-20)15-4-3-11-23-15/h3-6,11-13H,7-10H2,1-2H3
InChIKeyLMDUPEOJHOUCMP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.32
Rot. Bonds3

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

6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one (PubChem CID 16671081) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
PubChem CID16671081
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
SMILESCC(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C17H21N3O3/c1-12(2)17(22)19-9-7-13(8-10-19)20-16(21)6-5-14(18-20)15-4-3-11-23-15/h3-6,11-13H,7-10H2,1-2H3
InChIKeyLMDUPEOJHOUCMP-UHFFFAOYSA-N
XLogP2.32
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one (CID 16671081) is 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one is CC(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1.
What is the InChIKey of 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The InChIKey is LMDUPEOJHOUCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(2)17(22)19-9-7-13(8-10-19)20-16(21)6-5-14(18-20)15-4-3-11-23-15/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one has a molecular weight of 315.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 16671081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).