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706804-40-2 | 3-Piperidinemethanol, 1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS No: 706804-40-2 Catalog No: AG00FXME MDL No:
Product Description
Catalog Number:
AG00FXME
Chemical Name:
3-Piperidinemethanol, 1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS Number:
706804-40-2
IUPAC Name:
2-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methyl-4-propan-2-yl-1,2-oxazol-5-one
InChI:
InChI=1S/C14H22N2O4/c1-9(2)12-10(3)16(20-13(12)18)14(19)15-6-4-5-11(7-15)8-17/h9,11,17H,4-8H2,1-3H3
InChI Key:
LRPNSJTWGQACQA-UHFFFAOYSA-N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.34g/mol
Monoisotopic Mass:
282.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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