2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one

C22H22FN3O — CID 1472487

IUPAC2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O/c23-19-11-9-17(10-12-19)16-26-21(27)15-20(25-13-5-2-6-14-25)22(24-26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2
InChIKeyPVDIVHYXIYMSED-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.09
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one

2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 1472487) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID1472487
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C22H22FN3O/c23-19-11-9-17(10-12-19)16-26-21(27)15-20(25-13-5-2-6-14-25)22(24-26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2
InChIKeyPVDIVHYXIYMSED-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one (CID 1472487) is 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is PVDIVHYXIYMSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-11-9-17(10-12-19)16-26-21(27)15-20(25-13-5-2-6-14-25)22(24-26)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one?
2-[(4-fluorophenyl)methyl]-6-phenyl-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-[(4-fluorophenyl)methyl]-6-phenyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 1472487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).