| CAS Number | 895155-25-6 |
| Catalog Number | AG00GXWM(AGN-PC-0WOYZN) |
| Chemical Name | AB-005 |
| IUPAC Name | [1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone |
| InChI | InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3 |
| InChI Key | MOBWRRIAIHYXLB-UHFFFAOYSA-N |
| MDL Number | MFCD22577143 |
| Molecular Formula | C23H32N2O |
| Molecular Weight | 352.5130 |
| SMILES | O=C(C1C(C)(C)C1(C)C)C2=CN(CC3CCCCN3C)C4=CC=CC=C42 |
| Synonyms | AB-005,
CHEMBL571330,
895155-25-6,
MOBWRRIAIHYXLB-UHFFFAOYSA-N,
SCHEMBL2078218,
BDBM50303558,
(1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone,
[1-[(1-methyl-2-piperidinyl)methyl]-1h-indol-3-yl](2,2,3,3-tetramethylcyclopropyl)methanone,
CID11537652,
[1-[(1-methyl-2-piperidyl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone,
|
| Complexity | 540 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.522g/mol |
| Monoisotopic Mass | 352.251g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number