2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one

C22H22FN3O — CID 25098844

IUPAC2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2F)nn1Cc1ccccc1
InChIInChI=1S/C22H22FN3O/c23-19-12-6-5-11-18(19)22-20(25-13-7-2-8-14-25)15-21(27)26(24-22)16-17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2
InChIKeyAOBCOVHHSISXHG-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.09
Rot. Bonds4

About 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one

2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 25098844) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID25098844
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2F)nn1Cc1ccccc1
InChIInChI=1S/C22H22FN3O/c23-19-12-6-5-11-18(19)22-20(25-13-7-2-8-14-25)15-21(27)26(24-22)16-17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2
InChIKeyAOBCOVHHSISXHG-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-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 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one (CID 25098844) is 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)c(-c2ccccc2F)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is AOBCOVHHSISXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-12-6-5-11-18(19)22-20(25-13-7-2-8-14-25)15-21(27)26(24-22)16-17-9-3-1-4-10-17/h1,3-6,9-12,15H,2,7-8,13-14,16H2.
What are the key properties of 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one?
2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 363.44 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 25098844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).