| CAS Number | 791064-62-5 |
| Catalog Number | AG01C4X5 |
| Chemical Name | tert-butyl 4-[2-oxo-2-(pyridin-3-yl)ethyl]piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-oxo-2-pyridin-3-ylethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-9-6-13(7-10-19)11-15(20)14-5-4-8-18-12-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3 |
| InChI Key | KDCVTYWNSSQCAB-UHFFFAOYSA-N |
| MDL Number | MFCD18260071 |
| Molecular Formula | C17H24N2O3 |
| Molecular Weight | 304.3841 |
| SMILES | CC(OC(N1CCC(CC(C2=CN=CC=C2)=O)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-[2-oxo-2-(pyridin-3-yl)ethyl]piperidine-1-carboxylate,
791064-62-5,
AKOS033920478,
ZINC238178836,
Z2467523214,
|
| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.39g/mol |
| Monoisotopic Mass | 304.179g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 59.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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