| CAS Number | 2080306-20-1 |
| Catalog Number | AG01ENK4(AGN-PC-3H45NO) |
| Chemical Name | N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide |
| IUPAC Name | N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]-3-phenoxybenzamide |
| InChI | InChI=1S/C28H34N4O2/c1-29-15-18-32-16-12-23(13-17-32)27-19-22(11-14-30-27)21-31(2)28(33)24-7-6-10-26(20-24)34-25-8-4-3-5-9-25/h3-11,14,19-20,23,29H,12-13,15-18,21H2,1-2H3 |
| InChI Key | VUIITYLFSAXKIQ-UHFFFAOYSA-N |
| MDL Number | MFCD30720896 |
| Molecular Formula | C28H34N4O2 |
| Molecular Weight | 458.5952 |
| SMILES | CN(C(C1=CC(=CC=C1)OC1=CC=CC=C1)=O)CC1=CC(=NC=C1)C1CCN(CC1)CCNC |
| Synonyms | TP 064,
2080306-20-1,
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide,
N-Methyl-N-[(2-{1-[2-(Methylamino)ethyl]piperidin-4-Yl}pyridin-4-Yl)methyl]-3-Phenoxybenzamide,
N-methyl-N-[[2-[1-[2-(methylamino)ethyl]piperidin-4-yl]pyridin-4-yl]methyl]-3-phenoxybenzamide,
GTPL9528,
TP-064,
AKOS030211012,
ZINC584905460,
NCGC00488703-01,
7VM,
|
| Complexity | 603 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 458.268g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 458.606g/mol |
| Monoisotopic Mass | 458.268g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 57.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number