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

C23H22FN3O2 — CID 126852409

IUPAC2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
SMILESO=C(c1ccccc1F)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C23H22FN3O2/c24-20-9-5-4-8-19(20)23(29)26-14-12-17(13-15-26)16-27-22(28)11-10-21(25-27)18-6-2-1-3-7-18/h1-11,17H,12-16H2
InChIKeyOJDAOIXKSJDGQA-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.60
Rot. Bonds4

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

2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one (PubChem CID 126852409) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
PubChem CID126852409
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
SMILESO=C(c1ccccc1F)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1
InChIInChI=1S/C23H22FN3O2/c24-20-9-5-4-8-19(20)23(29)26-14-12-17(13-15-26)16-27-22(28)11-10-21(25-27)18-6-2-1-3-7-18/h1-11,17H,12-16H2
InChIKeyOJDAOIXKSJDGQA-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

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Related Compounds

2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446
2-[[1-(2-benzylsulfanylacetyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126852418
2-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126854681
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126851757
2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95797494
6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 66510167
2-[[1-(5-chlorothiophene-2-carbonyl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 126852434
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
6-cyclopropyl-2-[[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865168
[4-(benzenesulfonylmethyl)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110661954
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863401

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one (CID 126852409) is 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one is O=C(c1ccccc1F)N1CCC(Cn2nc(-c3ccccc3)ccc2=O)CC1.
What is the InChIKey of 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
The InChIKey is OJDAOIXKSJDGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-20-9-5-4-8-19(20)23(29)26-14-12-17(13-15-26)16-27-22(28)11-10-21(25-27)18-6-2-1-3-7-18/h1-11,17H,12-16H2.
What are the key properties of 2-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one?
2-[[1-(2-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-(2-fluorobenzoyl)piperidin-4-yl]methyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 126852409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).