2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one

C19H23N3O3 — CID 95803126

IUPAC2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one
SMILESCc1cc(-c2ccc(=O)n(C3CCN(C(=O)C4CC4)CC3)n2)c(C)o1
InChIInChI=1S/C19H23N3O3/c1-12-11-16(13(2)25-12)17-5-6-18(23)22(20-17)15-7-9-21(10-8-15)19(24)14-3-4-14/h5-6,11,14-15H,3-4,7-10H2,1-2H3
InChIKeyWMTUEVIFYHIWBY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.69
Rot. Bonds3

About 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one (PubChem CID 95803126) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one
PubChem CID95803126
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one
SMILESCc1cc(-c2ccc(=O)n(C3CCN(C(=O)C4CC4)CC3)n2)c(C)o1
InChIInChI=1S/C19H23N3O3/c1-12-11-16(13(2)25-12)17-5-6-18(23)22(20-17)15-7-9-21(10-8-15)19(24)14-3-4-14/h5-6,11,14-15H,3-4,7-10H2,1-2H3
InChIKeyWMTUEVIFYHIWBY-UHFFFAOYSA-N
XLogP2.69
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one?
The IUPAC name of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one (CID 95803126) is 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one is Cc1cc(-c2ccc(=O)n(C3CCN(C(=O)C4CC4)CC3)n2)c(C)o1.
What is the InChIKey of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one?
The InChIKey is WMTUEVIFYHIWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-11-16(13(2)25-12)17-5-6-18(23)22(20-17)15-7-9-21(10-8-15)19(24)14-3-4-14/h5-6,11,14-15H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one?
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one has a molecular weight of 341.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-6-(2,5-dimethylfuran-3-yl)pyridazin-3-one is sourced from PubChem (CID 95803126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).