2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one

C22H23F2N3O2 — CID 134242698

IUPAC2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(F)cc2)=NN1CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F2N3O2/c23-17-3-1-16(2-4-17)21-9-10-22(28)27(25-21)15-26-13-11-20(12-14-26)29-19-7-5-18(24)6-8-19/h1-8,20H,9-15H2
InChIKeyLAJRWGSLWQFVPV-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.79
Rot. Bonds5

About 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one

2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one (PubChem CID 134242698) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
PubChem CID134242698
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccc(F)cc2)=NN1CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C22H23F2N3O2/c23-17-3-1-16(2-4-17)21-9-10-22(28)27(25-21)15-26-13-11-20(12-14-26)29-19-7-5-18(24)6-8-19/h1-8,20H,9-15H2
InChIKeyLAJRWGSLWQFVPV-UHFFFAOYSA-N
XLogP3.79
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one with MolForge

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Related Compounds

3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
1-(2-cyclohexylethyl)-4-(4-fluorophenoxy)piperidine
CID 174665920
4-(4-fluorophenoxy)-1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidine
CID 167746466
4-(4-fluorophenoxy)-1-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 131950223
4-(4-fluorophenoxy)-1-(oxan-3-ylmethyl)piperidine
CID 131899608
7-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 134242981
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
CID 46980807
8-chloro-2-[2-[4-(4-fluorophenoxy)piperidin-1-yl]ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 134231151
4-(3,5-difluorophenoxy)-1-ethylpiperidine
CID 143394651
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one (CID 134242698) is 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccc(F)cc2)=NN1CN1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is LAJRWGSLWQFVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-3-1-16(2-4-17)21-9-10-22(28)27(25-21)15-26-13-11-20(12-14-26)29-19-7-5-18(24)6-8-19/h1-8,20H,9-15H2.
What are the key properties of 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one?
2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 399.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 134242698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).