3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one

C18H27N3O4S — CID 53161899

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCCCC3)c2=O)CC1
InChIInChI=1S/C18H27N3O4S/c1-15-7-12-21(13-8-15)26(24,25)16-6-5-11-20(18(16)23)14-17(22)19-9-3-2-4-10-19/h5-6,11,15H,2-4,7-10,12-14H2,1H3
InChIKeyZBYMBOFNKMVPMX-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.28
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one

3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one (PubChem CID 53161899) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
PubChem CID53161899
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCCCC3)c2=O)CC1
InChIInChI=1S/C18H27N3O4S/c1-15-7-12-21(13-8-15)26(24,25)16-6-5-11-20(18(16)23)14-17(22)19-9-3-2-4-10-19/h5-6,11,15H,2-4,7-10,12-14H2,1H3
InChIKeyZBYMBOFNKMVPMX-UHFFFAOYSA-N
XLogP1.28
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.28
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
1-[2-(4-Methylpiperidin-1-YL)-2-oxoethyl]-3-[(4-methylpiperidin-1-YL)sulfonyl]-1,2-dihydropyridin-2-one
CID 53161900
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 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one (CID 53161899) is 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one is CC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCCCC3)c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
The InChIKey is ZBYMBOFNKMVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-15-7-12-21(13-8-15)26(24,25)16-6-5-11-20(18(16)23)14-17(22)19-9-3-2-4-10-19/h5-6,11,15H,2-4,7-10,12-14H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one?
3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one has a molecular weight of 381.50 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 53161899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).