| CAS Number | 1330765-76-8 |
| Catalog Number | AG00HSSB(AGN-PC-0WG4JK) |
| Chemical Name | tert-Butyl 5-oxo-6,7-dihydro-5H-spiro[[1,6]naphthyridine-8,4'-piperidine]-1'-carboxylate |
| IUPAC Name | tert-butyl 5-oxospiro[6,7-dihydro-1,6-naphthyridine-8,4'-piperidine]-1'-carboxylate |
| InChI | InChI=1S/C17H23N3O3/c1-16(2,3)23-15(22)20-9-6-17(7-10-20)11-19-14(21)12-5-4-8-18-13(12)17/h4-5,8H,6-7,9-11H2,1-3H3,(H,19,21) |
| InChI Key | DJFBDYSETMLRIJ-UHFFFAOYSA-N |
| MDL Number | MFCD20230714 |
| Molecular Formula | C17H23N3O3 |
| Molecular Weight | 317.3828 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)CNC(=O)c1cccnc21 |
| Synonyms | 1330765-76-8,
tert-butyl 5-oxo-6,7-dihydro-5H-spiro[[1,6]naphthyridine-8,4'-piperidine]-1'-carboxylate,
Tert-Butyl 5-Oxo-6,7-Dihydro-5H-Spiro[[1,6]Naphthyridine-8,4-Piperidine]-1-Carboxylate,
tert-Butyl 5-oxospiro[6,7-dihydro-1,6-naphthyridine-8,4'-piperidine]-1'-carboxylate,
KS-00000TH9,
MFCD20230714,
ZINC91302960,
AKOS027255241,
AK206599,
AM804912,
CS-0036250,
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| Complexity | 478 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.389g/mol |
| Monoisotopic Mass | 317.174g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number