| CAS Number | 953905-88-9 |
| Catalog Number | AG019N9Y |
| Chemical Name | 1-(2-Amino-5-chlorobenzoyl)piperidine-3-carboxamide |
| IUPAC Name | 1-(2-amino-5-chlorobenzoyl)piperidine-3-carboxamide |
| InChI | InChI=1S/C13H16ClN3O2/c14-9-3-4-11(15)10(6-9)13(19)17-5-1-2-8(7-17)12(16)18/h3-4,6,8H,1-2,5,7,15H2,(H2,16,18) |
| InChI Key | XGTIHPGAUDNIPB-UHFFFAOYSA-N |
| MDL Number | MFCD09733338 |
| Molecular Formula | C13H16ClN3O2 |
| Molecular Weight | 281.7380 |
| SMILES | NC(C1CN(C(C2=C(N)C=CC(Cl)=C2)=O)CCC1)=O |
| Synonyms | 1-(2-amino-5-chlorobenzoyl)piperidine-3-carboxamide,
953905-88-9,
EN300-39775,
AC1Q4ZHQ,
CTK7D2767,
AKOS000139447,
AKOS016900792,
MCULE-8370900379,
NE20974,
Z234969391,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.74g/mol |
| Monoisotopic Mass | 281.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number