1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one

C18H26N4O4S — CID 121156442

IUPAC1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1
InChIInChI=1S/C18H26N4O4S/c1-12-10-16(11-17(23)20(12)4)26-15-6-8-22(9-7-15)27(24,25)18-13(2)19-21(5)14(18)3/h10-11,15H,6-9H2,1-5H3
InChIKeyIQSAYSZUBNYOCY-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.28
Rot. Bonds4

About 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one

1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one (PubChem CID 121156442) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
PubChem CID121156442
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1
InChIInChI=1S/C18H26N4O4S/c1-12-10-16(11-17(23)20(12)4)26-15-6-8-22(9-7-15)27(24,25)18-13(2)19-21(5)14(18)3/h10-11,15H,6-9H2,1-5H3
InChIKeyIQSAYSZUBNYOCY-UHFFFAOYSA-N
XLogP1.28
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one (CID 121156442) is 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1.
What is the InChIKey of 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one?
The InChIKey is IQSAYSZUBNYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-12-10-16(11-17(23)20(12)4)26-15-6-8-22(9-7-15)27(24,25)18-13(2)19-21(5)14(18)3/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one has a molecular weight of 394.50 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 121156442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).