| CAS Number | 1909310-15-1 |
| Catalog Number | AG01C2SC |
| Chemical Name | tert-butyl 4-{2-oxo-octahydro-1H-imidazolidino[4,5-c]pyridin-1-yl}piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C16H28N4O3/c1-16(2,3)23-15(22)19-8-5-11(6-9-19)20-13-4-7-17-10-12(13)18-14(20)21/h11-13,17H,4-10H2,1-3H3,(H,18,21) |
| InChI Key | CLSSHGGBDWCHLA-UHFFFAOYSA-N |
| MDL Number | MFCD29060311 |
| Molecular Formula | C16H28N4O3 |
| Molecular Weight | 324.4185 |
| SMILES | CC(OC(N1CCC(N2C(=O)NC3C2CCNC3)CC1)=O)(C)C |
| Synonyms | 1909310-15-1,
tert-butyl 4-{2-oxo-octahydro-1H-imidazolidino[4,5-c]pyridin-1-yl}piperidine-1-carboxylate,
AKOS033866446,
Z2327226194,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.425g/mol |
| Monoisotopic Mass | 324.216g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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