| CAS Number | 885698-91-9 |
| Catalog Number | AG00IF7N(AGN-PC-0VMJ3V) |
| Chemical Name | Tert-butyl 3-(methylcarbamoyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(methylcarbamoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-5-6-9(8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15) |
| InChI Key | AFIWRTIXNJHJNT-UHFFFAOYSA-N |
| MDL Number | MFCD09814374 |
| Molecular Formula | C12H22N2O3 |
| Molecular Weight | 242.3147 |
| SMILES | CNC(=O)C1CCCN(C1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 3-(methylcarbamoyl)piperidine-1-carboxylate,
885698-91-9,
SCHEMBL1087739,
AFIWRTIXNJHJNT-UHFFFAOYSA-N,
MFCD09814374,
AKOS000169201,
3-methylcarbamoyl-piperidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.319g/mol |
| Monoisotopic Mass | 242.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number