4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C18H20F2N2O4S — CID 121182608

IUPAC4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)cc(=O)n1C
InChIInChI=1S/C18H20F2N2O4S/c1-12-7-16(11-18(23)21(12)2)26-15-3-5-22(6-4-15)27(24,25)17-9-13(19)8-14(20)10-17/h7-11,15H,3-6H2,1-2H3
InChIKeyYYRPVCNCQYUSED-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.20
Rot. Bonds4

About 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 121182608) has the molecular formula C18H20F2N2O4S and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID121182608
Molecular FormulaC18H20F2N2O4S
Molecular Weight398.43 g/mol
Exact Mass398.11
IUPAC Name4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)cc(=O)n1C
InChIInChI=1S/C18H20F2N2O4S/c1-12-7-16(11-18(23)21(12)2)26-15-3-5-22(6-4-15)27(24,25)17-9-13(19)8-14(20)10-17/h7-11,15H,3-6H2,1-2H3
InChIKeyYYRPVCNCQYUSED-UHFFFAOYSA-N
XLogP2.20
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265671
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156421
4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265638
1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
CID 121156442
4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265667
1,6-dimethyl-4-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]oxypyridin-2-one
CID 99991423
4-[1-(4-fluoro-2-methylphenyl)sulfonylazetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265559
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265561
1,6-dimethyl-4-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265637
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998
1-(3,5-difluorophenyl)sulfonylpiperidin-4-one
CID 150339337
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 121182608) is 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)cc(=O)n1C.
What is the InChIKey of 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is YYRPVCNCQYUSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4S/c1-12-7-16(11-18(23)21(12)2)26-15-3-5-22(6-4-15)27(24,25)17-9-13(19)8-14(20)10-17/h7-11,15H,3-6H2,1-2H3.
What are the key properties of 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 398.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 121182608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).