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

C18H22FN3O2 — CID 127052326

IUPAC2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c19-15-5-7-16(8-6-15)22-18(23)10-9-17(20-22)24-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2
InChIKeyFBUKXCQLDQOMBH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.63
Rot. Bonds6

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

2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one (PubChem CID 127052326) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
PubChem CID127052326
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2/c19-15-5-7-16(8-6-15)22-18(23)10-9-17(20-22)24-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2
InChIKeyFBUKXCQLDQOMBH-UHFFFAOYSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one (CID 127052326) is 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one is O=c1ccc(OCCCN2CCCCC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The InChIKey is FBUKXCQLDQOMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-5-7-16(8-6-15)22-18(23)10-9-17(20-22)24-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2.
What are the key properties of 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one has a molecular weight of 331.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one is sourced from PubChem (CID 127052326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).