| CAS Number | 883985-03-3 |
| Catalog Number | AG00H2E9(AGN-PC-0CSZDC) |
| Chemical Name | 1H-Spiro[[1,8]naphthyridine-4,4'-piperidin]-2(3H)-one |
| IUPAC Name | spiro[1,3-dihydro-1,8-naphthyridine-4,4'-piperidine]-2-one |
| InChI | InChI=1S/C12H15N3O/c16-10-8-12(3-6-13-7-4-12)9-2-1-5-14-11(9)15-10/h1-2,5,13H,3-4,6-8H2,(H,14,15,16) |
| InChI Key | LTHHSSAETACXDL-UHFFFAOYSA-N |
| MDL Number | MFCD20526571 |
| Molecular Formula | C12H15N3O |
| Molecular Weight | 217.2670 |
| SMILES | O=C1Nc2ncccc2C2(C1)CCNCC2 |
| Synonyms | 883985-03-3,
1H-SPIRO[[1,8]NAPHTHYRIDINE-4,4'-PIPERIDIN]-2(3H)-ONE,
SCHEMBL1285777,
LTHHSSAETACXDL-UHFFFAOYSA-N,
AKOS027339348,
1H-spiro[[1,8]naphthyridin-4,4'-piperidin]-2(3H)-one,
1H-Spiro[1,8-naphthyridine-4,4'-piperidin]-2(3H)-one,
Spiro[1,8-naphthyridine-4(1H),4'-piperidin]-2(3H)-one,
Spiro[1,8-naphthyridine-4(1H),4-piperidin]-2(3H)-on,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.272g/mol |
| Monoisotopic Mass | 217.122g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number