| CAS Number | 1030181-52-2 |
| Catalog Number | AG01B931 |
| Chemical Name | tert-Butyl 4-(prop-2-yn-1-ylcarbamoyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(prop-2-ynylcarbamoyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C14H22N2O3/c1-5-8-15-12(17)11-6-9-16(10-7-11)13(18)19-14(2,3)4/h1,11H,6-10H2,2-4H3,(H,15,17) |
| InChI Key | XYNQIICDAJZIHK-UHFFFAOYSA-N |
| MDL Number | MFCD10605357 |
| Molecular Formula | C14H22N2O3 |
| Molecular Weight | 266.3361 |
| SMILES | CC(OC(N1CCC(C(NCC#C)=O)CC1)=O)(C)C |
| Synonyms | 1030181-52-2,
tert-butyl 4-[(prop-2-yn-1-yl)carbamoyl]piperidine-1-carboxylate,
tert-Butyl 4-(prop-2-yn-1-ylcarbamoyl)piperidine-1-carboxylate,
ZINC12745659,
AKOS027449202,
MCULE-9331146602,
EN300-203501,
AB00990461-01,
Z90905258,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.341g/mol |
| Monoisotopic Mass | 266.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number