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706804-90-2 | 4-Piperidinol, 1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS No: 706804-90-2 Catalog No: AG00FXMN MDL No:
Product Description
Catalog Number:
AG00FXMN
Chemical Name:
4-Piperidinol, 1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS Number:
706804-90-2
IUPAC Name:
2-(4-hydroxypiperidine-1-carbonyl)-3-methyl-4-propan-2-yl-1,2-oxazol-5-one
InChI:
InChI=1S/C13H20N2O4/c1-8(2)11-9(3)15(19-12(11)17)13(18)14-6-4-10(16)5-7-14/h8,10,16H,4-7H2,1-3H3
InChI Key:
NRDCIVABDKXKAM-UHFFFAOYSA-N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. | Journal of medicinal chemistry 20081023 |
| In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. | Bioorganic & medicinal chemistry letters 20040621 |
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