2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one

C17H18FN3O3 — CID 8556554

IUPAC2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C17H18FN3O3/c1-24-14-11-15(22)21(13-7-5-12(18)6-8-13)19-16(14)17(23)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3
InChIKeyCHNIIBMHTLFKNR-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.01
Rot. Bonds3

About 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one

2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one (PubChem CID 8556554) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one
PubChem CID8556554
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C17H18FN3O3/c1-24-14-11-15(22)21(13-7-5-12(18)6-8-13)19-16(14)17(23)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3
InChIKeyCHNIIBMHTLFKNR-UHFFFAOYSA-N
XLogP2.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one (CID 8556554) is 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is CHNIIBMHTLFKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-24-14-11-15(22)21(13-7-5-12(18)6-8-13)19-16(14)17(23)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one?
2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 331.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-6-(piperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 8556554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).