4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one

C19H23NO6S — CID 90629242

IUPAC4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1C
InChIInChI=1S/C19H23NO6S/c1-13-10-17(4-5-18(13)24-3)27(22,23)20-8-6-15(7-9-20)26-16-11-14(2)25-19(21)12-16/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyAIRLXBUBXFNLOJ-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.50
Rot. Bonds5

About 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one

4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one (PubChem CID 90629242) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
PubChem CID90629242
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1C
InChIInChI=1S/C19H23NO6S/c1-13-10-17(4-5-18(13)24-3)27(22,23)20-8-6-15(7-9-20)26-16-11-14(2)25-19(21)12-16/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyAIRLXBUBXFNLOJ-UHFFFAOYSA-N
XLogP2.50
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628899
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
CID 90629222
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
4-[(3R)-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 99877957
6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]oxypyran-2-one
CID 121155790
1-(3,4-dimethoxyphenyl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396998
4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156421
6-methyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidin-4-yl]oxypyran-2-one
CID 121155791
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]oxypyran-2-one
CID 90628877

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one (CID 90629242) is 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one is COc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)cc1C.
What is the InChIKey of 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
The InChIKey is AIRLXBUBXFNLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-13-10-17(4-5-18(13)24-3)27(22,23)20-8-6-15(7-9-20)26-16-11-14(2)25-19(21)12-16/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one has a molecular weight of 393.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90629242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).