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

C20H25N3O3 — CID 16671082

IUPAC2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESO=C(C1CCCCC1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C20H25N3O3/c24-19-9-8-17(18-7-4-14-26-18)21-23(19)16-10-12-22(13-11-16)20(25)15-5-2-1-3-6-15/h4,7-9,14-16H,1-3,5-6,10-13H2
InChIKeyQINACGDBSJZJPE-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.25
Rot. Bonds3

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

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 16671082) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID16671082
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
SMILESO=C(C1CCCCC1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1
InChIInChI=1S/C20H25N3O3/c24-19-9-8-17(18-7-4-14-26-18)21-23(19)16-10-12-22(13-11-16)20(25)15-5-2-1-3-6-15/h4,7-9,14-16H,1-3,5-6,10-13H2
InChIKeyQINACGDBSJZJPE-UHFFFAOYSA-N
XLogP3.25
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one (CID 16671082) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one is O=C(C1CCCCC1)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1.
What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is QINACGDBSJZJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19-9-8-17(18-7-4-14-26-18)21-23(19)16-10-12-22(13-11-16)20(25)15-5-2-1-3-6-15/h4,7-9,14-16H,1-3,5-6,10-13H2.
What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one?
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 16671082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).