| CAS Number | 1092481-51-0 |
| Catalog Number | AG01AP3D |
| Chemical Name | tert-butyl 4-(4-carbamoylphenyl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(4-carbamoylphenyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-10-8-18(9-11-19)13-6-4-12(5-7-13)14(17)20/h4-7H,8-11H2,1-3H3,(H2,17,20) |
| InChI Key | WYSDUCDBYVUUOA-UHFFFAOYSA-N |
| MDL Number | MFCD11045807 |
| Molecular Formula | C16H23N3O3 |
| Molecular Weight | 305.3721 |
| SMILES | CC(OC(N1CCN(C2=CC=C(C(N)=O)C=C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 4-(4-carbamoylphenyl)piperazine-1-carboxylate,
1092481-51-0,
SCHEMBL13218466,
ZINC73803207,
AKOS034042558,
Z281830880,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.378g/mol |
| Monoisotopic Mass | 305.174g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number