| CAS Number | 1001346-04-8 |
| Catalog Number | AG0094QT |
| Chemical Name | 4-amino-N-(1-methylpiperidin-4-yl)-3-(trifluoromethoxy)benzamide |
| IUPAC Name | 4-amino-N-(1-methylpiperidin-4-yl)-3-(trifluoromethoxy)benzamide |
| InChI | InChI=1S/C14H18F3N3O2/c1-20-6-4-10(5-7-20)19-13(21)9-2-3-11(18)12(8-9)22-14(15,16)17/h2-3,8,10H,4-7,18H2,1H3,(H,19,21) |
| InChI Key | VNOHEWUYHBJEMA-UHFFFAOYSA-N |
| MDL Number | MFCD26395473 |
| Molecular Formula | C14H18F3N3O2 |
| Molecular Weight | 317.3068 |
| SMILES | CN1CCC(CC1)NC(=O)c1ccc(N)c(OC(F)(F)F)c1 |
| Synonyms | 4-amino-N-(1-methylpiperidin-4-yl)-3-(trifluoromethoxy)benzamide,
1001346-04-8,
SCHEMBL1559785,
VNOHEWUYHBJEMA-UHFFFAOYSA-N,
AKOS032960988,
CS-0061765,
4-amino-N-(1-methyl-4-piperidyl)-3-(trifluoromethoxy)benzamide,
4-amino-N-(1-methyl-piperidin-4-yl)-3-trifluoromethoxy-benzamide,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.312g/mol |
| Monoisotopic Mass | 317.135g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number