| CAS Number | 1240514-89-9 |
| Catalog Number | AG00A192 |
| Chemical Name | VU0364572 (trifluoroacetate salt) |
| IUPAC Name | ethyl 4-[(3R)-3-[(2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C21H31N3O3.C2HF3O2/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2;3-2(4,5)1(6)7/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25);(H,6,7)/t17-;/m1./s1 |
| InChI Key | QEFQJTFXOBPBLZ-UNTBIKODSA-N |
| MDL Number | MFCD31618417 |
| Molecular Formula | C23H32F3N3O5 |
| Molecular Weight | 487.5125 |
| SMILES | CC1=C(C(N[C@@H]2CCCN(C3CCN(C(OCC)=O)CC3)C2)=O)C=CC=C1.OC(C(F)(F)F)=O |
| Synonyms | VU0364572 TFA salt,
1240514-89-9,
AOB1340,
SYN5125,
C23H32F3N3O5,
AS-16489,
|
| Complexity | 588 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 487.229g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 487.52g/mol |
| Monoisotopic Mass | 487.229g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 99.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number