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706804-94-6 | 4-Piperidinecarboxamide, N,N-dimethyl-1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]-
CAS No: 706804-94-6 Catalog No: AG00FXMP MDL No:
Product Description
Catalog Number:
AG00FXMP
Chemical Name:
4-Piperidinecarboxamide, N,N-dimethyl-1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]-
CAS Number:
706804-94-6
IUPAC Name:
N,N-dimethyl-1-(3-methyl-5-oxo-4-propan-2-yl-1,2-oxazole-2-carbonyl)piperidine-4-carboxamide
InChI:
InChI=1S/C16H25N3O4/c1-10(2)13-11(3)19(23-15(13)21)16(22)18-8-6-12(7-9-18)14(20)17(4)5/h10,12H,6-9H2,1-5H3
InChI Key:
KRKLXOUKCLVHLQ-UHFFFAOYSA-N
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.185g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.393g/mol
Monoisotopic Mass:
323.185g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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