| CAS Number | 2245084-40-4 |
| Catalog Number | AG01JHJD(AGN-PC-3H6E0A) |
| Chemical Name | tert-Butyl 5-oxo-5,7-dihydrospiro[cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 5-oxospiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-9-6-17(7-10-19)11-13-12(14(17)20)5-4-8-18-13/h4-5,8H,6-7,9-11H2,1-3H3 |
| InChI Key | IIEMEFZYFPCYBC-UHFFFAOYSA-N |
| MDL Number | MFCD32173167 |
| Molecular Formula | C17H22N2O3 |
| Molecular Weight | 302.3682 |
| SMILES | O=C(N1CCC2(CC1)C(C3=CC=CN=C3C2)=O)OC(C)(C)C |
| Synonyms | tert-butyl 5-oxo-5,7-dihydrospiro[cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate,
2245084-40-4,
SCHEMBL13004997,
CS-16208,
CS-0093334,
Spiro[6H-cyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylic acid, 5,7-dihydro-5-oxo-, 1,1-dimethylethyl ester,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.163043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.37g/mol |
| Monoisotopic Mass | 302.163043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number