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

C18H21NO6S — CID 90629229

IUPAC4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)c1
InChIInChI=1S/C18H21NO6S/c1-13-10-16(12-18(20)24-13)25-14-6-8-19(9-7-14)26(21,22)17-5-3-4-15(11-17)23-2/h3-5,10-12,14H,6-9H2,1-2H3
InChIKeyHDENCVSYVBJKAD-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.19
Rot. Bonds5

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

4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one (PubChem CID 90629229) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
PubChem CID90629229
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCOc1cccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)c1
InChIInChI=1S/C18H21NO6S/c1-13-10-16(12-18(20)24-13)25-14-6-8-19(9-7-14)26(21,22)17-5-3-4-15(11-17)23-2/h3-5,10-12,14H,6-9H2,1-2H3
InChIKeyHDENCVSYVBJKAD-UHFFFAOYSA-N
XLogP2.19
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628899
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
6-methyl-4-[1-[4-[3-(trifluoromethyl)phenyl]phenyl]sulfonylpiperidin-4-yl]oxypyran-2-one
CID 121155790
6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
CID 90629222
4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629010
6-methyl-4-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperidin-4-yl]oxypyran-2-one
CID 121155791
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
4-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629231
4-[(3R)-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 99877957
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one (CID 90629229) is 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one is COc1cccc(S(=O)(=O)N2CCC(Oc3cc(C)oc(=O)c3)CC2)c1.
What is the InChIKey of 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
The InChIKey is HDENCVSYVBJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-13-10-16(12-18(20)24-13)25-14-6-8-19(9-7-14)26(21,22)17-5-3-4-15(11-17)23-2/h3-5,10-12,14H,6-9H2,1-2H3.
What are the key properties of 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one?
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one has a molecular weight of 379.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90629229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).