2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one

C18H20FN3O2 — CID 46958873

IUPAC2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C18H20FN3O2/c1-13(23)21-10-8-14(9-11-21)12-22-18(24)7-6-17(20-22)15-2-4-16(19)5-3-15/h2-7,14H,8-12H2,1H3
InChIKeyHHSCNKNHMJDVEP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.31
Rot. Bonds3

About 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 46958873) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID46958873
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1
InChIInChI=1S/C18H20FN3O2/c1-13(23)21-10-8-14(9-11-21)12-22-18(24)7-6-17(20-22)15-2-4-16(19)5-3-15/h2-7,14H,8-12H2,1H3
InChIKeyHHSCNKNHMJDVEP-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 46958873) is 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one is CC(=O)N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is HHSCNKNHMJDVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13(23)21-10-8-14(9-11-21)12-22-18(24)7-6-17(20-22)15-2-4-16(19)5-3-15/h2-7,14H,8-12H2,1H3.
What are the key properties of 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 329.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 46958873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).