| CAS Number | 1082949-99-2 |
| Catalog Number | AG007D2V(AGN-PC-09TAQ4) |
| Chemical Name | tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate |
| 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 |
| MDL Number | MFCD15071415 |
| Molecular Formula | C20H24F4N2O4 |
| Molecular Weight | 432.4092 |
| SMILES | O=C(C1CCN(C(OC(C)(C)C)=O)CC1)NCC(C2=CC=C(F)C(C(F)(F)F)=C2)=O |
| Synonyms | 1082949-99-2,
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine,
1-Boc-4-(2-(4-Fluoro-3-(trifluoromethyl)-phenyl)-2-oxoethylcarbamoyl)piperidine,
tert-butyl 4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate,
tert-Butyl4-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylate,
tert-butyl 4-((2-(4-fluoro-3-(trifluoromethyl)phenyl)-2-oxoethyl)carbamoyl)piperidine-1-carboxylate,
tert-Butyl 4-({2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxoethyl}carbamoyl)piperidine-1-carboxylate,
SCHEMBL2063004,
CTK8C4611,
DTXSID80701740,
QJMZCTXXDQBKAB-UHFFFAOYSA-N,
ANW-72465,
ZINC79017056,
AKOS016007627,
CS-13206,
AJ-122841,
AX8163694,
TC-161210,
CS-0028273,
4-(2-(4-Fluoro-3-(trifluoromethyl)phenyl)-2-oxoethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester,
4-[2-(4-Fluoro-3-trifluoromethyl-phenyl)-2-oxo-ethylcarbamoyl]-piperidine-1-carboxylic acid tert-butyl ester,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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