3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C16H23N3O4S — CID 91910337

IUPAC3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccc[nH]c3=O)C2)CC1
InChIInChI=1S/C16H23N3O4S/c1-24(22,23)19-9-5-12(6-10-19)13-4-8-18(11-13)16(21)14-3-2-7-17-15(14)20/h2-3,7,12-13H,4-6,8-11H2,1H3,(H,17,20)
InChIKeyXOZYHOXISQMODM-UHFFFAOYSA-N
MW353.44 g/mol
LogP0.51
Rot. Bonds3

About 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91910337) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91910337
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccc[nH]c3=O)C2)CC1
InChIInChI=1S/C16H23N3O4S/c1-24(22,23)19-9-5-12(6-10-19)13-4-8-18(11-13)16(21)14-3-2-7-17-15(14)20/h2-3,7,12-13H,4-6,8-11H2,1H3,(H,17,20)
InChIKeyXOZYHOXISQMODM-UHFFFAOYSA-N
XLogP0.51
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 91910337) is 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is CS(=O)(=O)N1CCC(C2CCN(C(=O)c3ccc[nH]c3=O)C2)CC1.
What is the InChIKey of 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is XOZYHOXISQMODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-24(22,23)19-9-5-12(6-10-19)13-4-8-18(11-13)16(21)14-3-2-7-17-15(14)20/h2-3,7,12-13H,4-6,8-11H2,1H3,(H,17,20).
What are the key properties of 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 353.44 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91910337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).