6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

C17H18FN3O2 — CID 7664523

IUPAC6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCCCC1
InChIInChI=1S/C17H18FN3O2/c18-14-6-4-13(5-7-14)15-8-9-16(22)21(19-15)12-17(23)20-10-2-1-3-11-20/h4-9H,1-3,10-12H2
InChIKeyCUTZBSAGJXISKH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.06
Rot. Bonds3

About 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 7664523) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID7664523
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCCCC1
InChIInChI=1S/C17H18FN3O2/c18-14-6-4-13(5-7-14)15-8-9-16(22)21(19-15)12-17(23)20-10-2-1-3-11-20/h4-9H,1-3,10-12H2
InChIKeyCUTZBSAGJXISKH-UHFFFAOYSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (CID 7664523) is 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)N1CCCCC1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is CUTZBSAGJXISKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-6-4-13(5-7-14)15-8-9-16(22)21(19-15)12-17(23)20-10-2-1-3-11-20/h4-9H,1-3,10-12H2.
What are the key properties of 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 315.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7664523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).