| CAS Number | 1052550-00-1 |
| Catalog Number | AG019OKL |
| Chemical Name | N-(1,3-dioxaindan-5-yl)piperidine-4-carboxamide hydrochloride |
| IUPAC Name | N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide;hydrochloride |
| InChI | InChI=1S/C13H16N2O3.ClH/c16-13(9-3-5-14-6-4-9)15-10-1-2-11-12(7-10)18-8-17-11;/h1-2,7,9,14H,3-6,8H2,(H,15,16);1H |
| InChI Key | KQFLQZINKXEUMZ-UHFFFAOYSA-N |
| MDL Number | MFCD07347718 |
| Molecular Formula | C13H17ClN2O3 |
| Molecular Weight | 284.7387 |
| SMILES | Cl.O=C(C1CCNCC1)NC1=CC2=C(OCO2)C=C1 |
| Synonyms | N-(2H-1,3-benzodioxol-5-yl)piperidine-4-carboxamide hydrochloride,
1052550-00-1,
N-1,3-benzodioxol-5-ylpiperidine-4-carboxamide hydrochloride,
AC1Q3E2R,
CTK7F9996,
AKOS008056202,
MCULE-9363194833,
NE31630,
EN300-14290,
Z107728848,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.74g/mol |
| Monoisotopic Mass | 284.093g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number