| CAS Number | 1159823-86-5 |
| Catalog Number | AG0099J8 |
| Chemical Name | 1-N-Boc-4-(4-Carbamoylpyridin-2-yl)piperazine |
| IUPAC Name | tert-butyl 4-(4-carbamoylpyridin-2-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C15H22N4O3/c1-15(2,3)22-14(21)19-8-6-18(7-9-19)12-10-11(13(16)20)4-5-17-12/h4-5,10H,6-9H2,1-3H3,(H2,16,20) |
| InChI Key | IANGWKTZPQMOGJ-UHFFFAOYSA-N |
| MDL Number | MFCD12068360 |
| Molecular Formula | C15H22N4O3 |
| Molecular Weight | 306.3602 |
| SMILES | O(C(C)(C)C)C(N1CCN(CC1)C1C=C(C(N)=O)C=CN=1)=O |
| Synonyms | 1-N-Boc-4-(4-Carbamoylpyridin-2-yl)piperazine,
1159823-86-5,
tert-butyl 4-(4-carbamoylpyridin-2-yl)piperazine-1-carboxylate,
DTXSID30679405,
MFCD12068360,
ZINC44137222,
AKOS026670833,
AS-31396,
A-2327,
4-(4-Carbamoyl-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 414 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.366g/mol |
| Monoisotopic Mass | 306.169g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number