Home Carboxys tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate

CAS No.:
1082949-99-2
Catalog Number:
AG007D2V
Molecular Formula:
C20H24F4N2O4
Molecular Weight:
432.4092
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Product Description
Catalog Number:
AG007D2V
Chemical Name:
tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate
CAS Number:
1082949-99-2
Molecular Formula:
C20H24F4N2O4
Molecular Weight:
432.4092
MDL Number:
MFCD15071415
IUPAC Name:
tert-butyl 4-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
InChI:
InChI=1S/C20H24F4N2O4/c1-19(2,3)30-18(29)26-8-6-12(7-9-26)17(28)25-11-16(27)13-4-5-15(21)14(10-13)20(22,23)24/h4-5,10,12H,6-9,11H2,1-3H3,(H,25,28)
InChI Key:
QJMZCTXXDQBKAB-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)NCC(=O)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.167g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
432.416g/mol
Monoisotopic Mass:
432.167g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties