3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one

C17H25N3O5S — CID 71823771

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCOCC3)c2=O)CC1
InChIInChI=1S/C17H25N3O5S/c1-14-4-7-20(8-5-14)26(23,24)15-3-2-6-19(17(15)22)13-16(21)18-9-11-25-12-10-18/h2-3,6,14H,4-5,7-13H2,1H3
InChIKeyZSJNKECAEVRAPM-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.13
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one

3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one (PubChem CID 71823771) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one
PubChem CID71823771
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one
SMILESCC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCOCC3)c2=O)CC1
InChIInChI=1S/C17H25N3O5S/c1-14-4-7-20(8-5-14)26(23,24)15-3-2-6-19(17(15)22)13-16(21)18-9-11-25-12-10-18/h2-3,6,14H,4-5,7-13H2,1H3
InChIKeyZSJNKECAEVRAPM-UHFFFAOYSA-N
XLogP0.13
TPSA88.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl {3-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxopyridin-1(2H)-yl}acetate
CID 71823775
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-(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
N-Cyclohexyl-N-methyl-2-[5-(morpholine-4-sulfonyl)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 49667095
ethyl [3-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxopyridin-1(2H)-yl]acetate
CID 53161840
Tert-butyl 2-{3-[(4-methylpiperidin-1-YL)sulfonyl]-2-oxo-1,2-dihydropyridin-1-YL}acetate
CID 53161846
N,N-dimethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 7829063
N,N-diethyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 32978768
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 46539458
N,N-diethyl-1-[2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2-oxoethyl]-6-oxopyridine-3-sulfonamide
CID 51129331

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one (CID 71823771) is 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one is CC1CCN(S(=O)(=O)c2cccn(CC(=O)N3CCOCC3)c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one?
The InChIKey is ZSJNKECAEVRAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-14-4-7-20(8-5-14)26(23,24)15-3-2-6-19(17(15)22)13-16(21)18-9-11-25-12-10-18/h2-3,6,14H,4-5,7-13H2,1H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one?
3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one has a molecular weight of 383.47 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)pyridin-2-one is sourced from PubChem (CID 71823771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).