2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one

C23H22FN3O2 — CID 16670104

IUPAC2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
SMILESO=C(c1cccc(F)c1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C23H22FN3O2/c24-20-8-4-7-19(15-20)23(29)26-13-11-17(12-14-26)16-27-22(28)10-9-21(25-27)18-5-2-1-3-6-18/h1-10,15,17H,11-14,16H2
InChIKeyGWRZOYGNBRZVIH-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.60
Rot. Bonds4

About 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one

2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one (PubChem CID 16670104) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
PubChem CID16670104
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
SMILESO=C(c1cccc(F)c1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C23H22FN3O2/c24-20-8-4-7-19(15-20)23(29)26-13-11-17(12-14-26)16-27-22(28)10-9-21(25-27)18-5-2-1-3-6-18/h1-10,15,17H,11-14,16H2
InChIKeyGWRZOYGNBRZVIH-UHFFFAOYSA-N
XLogP3.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-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-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one (CID 16670104) is 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one is O=C(c1cccc(F)c1)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
The InChIKey is GWRZOYGNBRZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-20-8-4-7-19(15-20)23(29)26-13-11-17(12-14-26)16-27-22(28)10-9-21(25-27)18-5-2-1-3-6-18/h1-10,15,17H,11-14,16H2.
What are the key properties of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one has a molecular weight of 391.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 16670104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).