2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one

C20H18FN3O2S — CID 95797622

IUPAC2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(c1ccccc1F)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C20H18FN3O2S/c21-16-7-2-1-6-15(16)20(26)23-11-3-5-14(13-23)24-19(25)10-9-17(22-24)18-8-4-12-27-18/h1-2,4,6-10,12,14H,3,5,11,13H2/t14-/m1/s1
InChIKeyUGSIFFSWMWLWOG-CQSZACIVSA-N
MW383.45 g/mol
LogP3.59
Rot. Bonds3

About 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one

2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 95797622) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID95797622
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
SMILESO=C(c1ccccc1F)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C20H18FN3O2S/c21-16-7-2-1-6-15(16)20(26)23-11-3-5-14(13-23)24-19(25)10-9-17(22-24)18-8-4-12-27-18/h1-2,4,6-10,12,14H,3,5,11,13H2/t14-/m1/s1
InChIKeyUGSIFFSWMWLWOG-CQSZACIVSA-N
XLogP3.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one with MolForge

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Related Compounds

2-[(3S)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797616
2-[1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214063
(3S)-3-[2-oxo-2-[(3R)-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 95797611
(3S)-3-[2-oxo-2-[(3S)-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 95797609
2-[1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 110214070
2-[(3S)-1-(3-indazol-1-ylpropanoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one
CID 95797607
2-piperidin-4-yl-6-thiophen-2-ylpyridazin-3-one;hydrochloride
CID 6460999
3-[1-(2-fluorobenzoyl)piperidin-3-yl]-5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-one
CID 46952572
2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 95791832
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one
CID 16671052
2-[[(3S)-1-butanoylpiperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 46959195

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one (CID 95797622) is 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is O=C(c1ccccc1F)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is UGSIFFSWMWLWOG-CQSZACIVSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-16-7-2-1-6-15(16)20(26)23-11-3-5-14(13-23)24-19(25)10-9-17(22-24)18-8-4-12-27-18/h1-2,4,6-10,12,14H,3,5,11,13H2/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one?
2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 383.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 95797622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).