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

C19H29N3O4S — CID 53161900

IUPAC1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one
SMILESCC1CCN(C(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)CC1
InChIInChI=1S/C19H29N3O4S/c1-15-5-10-20(11-6-15)18(23)14-21-9-3-4-17(19(21)24)27(25,26)22-12-7-16(2)8-13-22/h3-4,9,15-16H,5-8,10-14H2,1-2H3
InChIKeyJKKOGFWNQNTYSU-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.53
Rot. Bonds4

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

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one (PubChem CID 53161900) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one
PubChem CID53161900
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one
SMILESCC1CCN(C(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)CC1
InChIInChI=1S/C19H29N3O4S/c1-15-5-10-20(11-6-15)18(23)14-21-9-3-4-17(19(21)24)27(25,26)22-12-7-16(2)8-13-22/h3-4,9,15-16H,5-8,10-14H2,1-2H3
InChIKeyJKKOGFWNQNTYSU-UHFFFAOYSA-N
XLogP1.53
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(tert-butyl)-2-(3-((4-methylpiperidin-1-yl)sulfonyl)-2-oxopyridin-1(2H)-yl)acetamide
CID 49666402
N-cyclopentyl-2-(3-((4-methylpiperidin-1-yl)sulfonyl)-2-oxopyridin-1(2H)-yl)acetamide
CID 49666403
[3-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxopyridin-1(2H)-yl]acetonitrile
CID 53161841
3-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]pyridin-2(1H)-one
CID 71823771
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 16273420
N-butyl-N-methyl-2-(3-((4-methylpiperidin-1-yl)sulfonyl)-2-oxopyridin-1(2H)-yl)acetamide
CID 49666399
3-[(4-Methylpiperidin-1-YL)sulfonyl]-1-[2-oxo-2-(piperidin-1-YL)ethyl]-1,2-dihydropyridin-2-one
CID 53161899
1-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)-3-((4-methylpiperidin-1-yl)sulfonyl)pyridin-2(1H)-one
CID 49666401
3-(azepan-1-ylsulfonyl)-1-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyridin-2(1H)-one
CID 49666457
1-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828946
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 7828947
N,N-dimethyl-1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 7829061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one (CID 53161900) is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one is CC1CCN(C(=O)Cn2cccc(S(=O)(=O)N3CCC(C)CC3)c2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one?
The InChIKey is JKKOGFWNQNTYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-15-5-10-20(11-6-15)18(23)14-21-9-3-4-17(19(21)24)27(25,26)22-12-7-16(2)8-13-22/h3-4,9,15-16H,5-8,10-14H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one?
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one has a molecular weight of 395.53 g/mol, XLogP of 1.53, 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-(4-methylpiperidin-1-yl)sulfonylpyridin-2-one is sourced from PubChem (CID 53161900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).