| CAS Number | 1247473-57-9 |
| Catalog Number | AG01A1Z2 |
| Chemical Name | 3-ethyl-N-(piperidin-4-yl)thiophene-2-carboxamide |
| IUPAC Name | 3-ethyl-N-piperidin-4-ylthiophene-2-carboxamide |
| InChI | InChI=1S/C12H18N2OS/c1-2-9-5-8-16-11(9)12(15)14-10-3-6-13-7-4-10/h5,8,10,13H,2-4,6-7H2,1H3,(H,14,15) |
| InChI Key | QGBITSAUJCYPJH-UHFFFAOYSA-N |
| MDL Number | MFCD14656382 |
| Molecular Formula | C12H18N2OS |
| Molecular Weight | 238.3491 |
| SMILES | CCC1=C(C(NC2CCNCC2)=O)SC=C1 |
| Synonyms | 3-ethyl-N-(piperidin-4-yl)thiophene-2-carboxamide,
1247473-57-9,
ZINC42411210,
AKOS010648470,
MCULE-1448502001,
NE61751,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.349g/mol |
| Monoisotopic Mass | 238.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number