4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C19H23FN2O4S — CID 86265666

IUPAC4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1
InChIInChI=1S/C19H23FN2O4S/c1-13-10-15(20)4-5-18(13)27(24,25)22-8-6-16(7-9-22)26-17-11-14(2)21(3)19(23)12-17/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyIOPZBZZOHAHUOO-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.37
Rot. Bonds4

About 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265666) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265666
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1
InChIInChI=1S/C19H23FN2O4S/c1-13-10-15(20)4-5-18(13)27(24,25)22-8-6-16(7-9-22)26-17-11-14(2)21(3)19(23)12-17/h4-5,10-12,16H,6-9H2,1-3H3
InChIKeyIOPZBZZOHAHUOO-UHFFFAOYSA-N
XLogP2.37
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265666) is 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(F)ccc1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1.
What is the InChIKey of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is IOPZBZZOHAHUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13-10-15(20)4-5-18(13)27(24,25)22-8-6-16(7-9-22)26-17-11-14(2)21(3)19(23)12-17/h4-5,10-12,16H,6-9H2,1-3H3.
What are the key properties of 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 394.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).