| CAS Number | 1458419-58-3 |
| Catalog Number | AG01ABX2 |
| Chemical Name | methyl 2-(4-benzoylpiperazin-1-yl)acetate |
| IUPAC Name | methyl 2-(4-benzoylpiperazin-1-yl)acetate |
| InChI | InChI=1S/C14H18N2O3/c1-19-13(17)11-15-7-9-16(10-8-15)14(18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3 |
| InChI Key | CAFDRNBXLAENIL-UHFFFAOYSA-N |
| MDL Number | MFCD21367348 |
| Molecular Formula | C14H18N2O3 |
| Molecular Weight | 262.3043 |
| SMILES | COC(CN1CCN(C(C2=CC=CC=C2)=O)CC1)=O |
| Synonyms | methyl 2-(4-benzoylpiperazin-1-yl)acetate,
1458419-58-3,
ZINC67130782,
AKOS009036203,
MCULE-6890614590,
NE48926,
Z105974758,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.309g/mol |
| Monoisotopic Mass | 262.132g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number