1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

C17H25N3O4S — CID 53161876

IUPAC1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCC1CCN(C(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)CC1
InChIInChI=1S/C17H25N3O4S/c1-14-6-11-18(12-7-14)16(21)13-19-8-4-5-15(17(19)22)25(23,24)20-9-2-3-10-20/h4-5,8,14H,2-3,6-7,9-13H2,1H3
InChIKeyZKZAYDWZGHLWDG-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.89
Rot. Bonds4

About 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 53161876) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID53161876
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCC1CCN(C(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)CC1
InChIInChI=1S/C17H25N3O4S/c1-14-6-11-18(12-7-14)16(21)13-19-8-4-5-15(17(19)22)25(23,24)20-9-2-3-10-20/h4-5,8,14H,2-3,6-7,9-13H2,1H3
InChIKeyZKZAYDWZGHLWDG-UHFFFAOYSA-N
XLogP0.89
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 53161876) is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is CC1CCN(C(=O)Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is ZKZAYDWZGHLWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-14-6-11-18(12-7-14)16(21)13-19-8-4-5-15(17(19)22)25(23,24)20-9-2-3-10-20/h4-5,8,14H,2-3,6-7,9-13H2,1H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 367.47 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 53161876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).