| CAS Number | 1251021-44-9 |
| Catalog Number | AG01DJUB |
| Chemical Name | Spiro[isoquinoline-3(2H),4′-piperidine]-1′-carboxylic acid, 1,4-dihydro-1-oxo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 1-oxospiro[2,4-dihydroisoquinoline-3,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-10-8-18(9-11-20)12-13-6-4-5-7-14(13)15(21)19-18/h4-7H,8-12H2,1-3H3,(H,19,21) |
| InChI Key | SXIPQAKGHJILBH-UHFFFAOYSA-N |
| MDL Number | MFCD14581145 |
| Molecular Formula | C18H24N2O3 |
| Molecular Weight | 316.3948 |
| SMILES | O=C(N1CCC2(CC1)NC(=O)c1c(C2)cccc1)OC(C)(C)C |
| Synonyms | 1251021-44-9,
tert-Butyl 1-oxo-2,4-dihydro-1h-spiro[isoquinoline-3,4'-piperidine]-1'-carboxylate,
TERT-BUTYL1-OXO-2,4-DIHYDRO-1H-SPIRO[ISOQUINOLINE-3,4'-PIPERIDINE]-1'-CARBOXYLATE,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.401g/mol |
| Monoisotopic Mass | 316.179g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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