| CAS Number | 1016734-18-1 |
| Catalog Number | AG01A90P |
| Chemical Name | N-(4-cyanophenyl)piperidine-4-carboxamide |
| IUPAC Name | N-(4-cyanophenyl)piperidine-4-carboxamide |
| InChI | InChI=1S/C13H15N3O/c14-9-10-1-3-12(4-2-10)16-13(17)11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H,16,17) |
| InChI Key | NUPOLOKBKIZZPM-UHFFFAOYSA-N |
| MDL Number | MFCD09815017 |
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.2777 |
| SMILES | O=C(C1CCNCC1)NC1=CC=C(C#N)C=C1 |
| Synonyms | N-(4-cyanophenyl)piperidine-4-carboxamide,
1016734-18-1,
EN300-63912,
AC1Q5LJ8,
CTK7C7870,
ZINC19411052,
AKOS000164975,
MCULE-7639069383,
NE60684,
Z320986394,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.283g/mol |
| Monoisotopic Mass | 229.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number