5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one

C11H16N2O4S — CID 43629298

IUPAC5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCOC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C11H16N2O4S/c1-17-9-4-6-13(7-5-9)18(15,16)10-2-3-11(14)12-8-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)
InChIKeyKIPDPLNKWIZKAD-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.17
Rot. Bonds3

About 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one

5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one (PubChem CID 43629298) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
PubChem CID43629298
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one
SMILESCOC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C11H16N2O4S/c1-17-9-4-6-13(7-5-9)18(15,16)10-2-3-11(14)12-8-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)
InChIKeyKIPDPLNKWIZKAD-UHFFFAOYSA-N
XLogP0.17
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one (CID 43629298) is 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one is COC1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
The InChIKey is KIPDPLNKWIZKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-9-4-6-13(7-5-9)18(15,16)10-2-3-11(14)12-8-10/h2-3,8-9H,4-7H2,1H3,(H,12,14).
What are the key properties of 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one?
5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one has a molecular weight of 272.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)sulfonyl-1H-pyridin-2-one is sourced from PubChem (CID 43629298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).