C139H213F9N20O11 — CID 167665111
N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;5-fluoro-N-[4-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[3-hydroxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-2-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]benzamide;5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 167665111) has the molecular formula C139H213F9N20O11 and a molecular weight of 2511.34 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;5-fluoro-N-[4-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[3-hydroxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-2-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]benzamide;5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide.
| Compound Name | N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;5-fluoro-N-[4-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[3-hydroxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-2-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]benzamide;5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide |
|---|---|
| PubChem CID | 167665111 |
| Molecular Formula | C139H213F9N20O11 |
| Molecular Weight | 2511.34 g/mol |
| Exact Mass | 2509.66 |
| IUPAC Name | N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-5-fluoro-2-methylbenzamide;5-fluoro-N-[4-[(3-hydroxy-3-methylazetidin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-N-[4-[[3-hydroxypropyl(methyl)amino]methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylbenzamide;5-fluoro-2-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]benzamide;5-fluoro-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-(trifluoromethyl)benzamide;3-methoxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)benzamide |
| SMILES | CC(C)N1CCC(C)(NC(=O)c2cc(F)ccc2C(F)(F)F)CC1.CCN1CCN(CC2(NC(=O)c3cc(F)ccc3C)CCN(C(C)C)CC2)CC1.COc1cccc(C(=O)NC2(C)CCN(C(C)C)CC2)c1.Cc1ccc(F)cc1C(=O)NC1(CN(C)C)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN(C)CCCO)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN2CC(C)(O)C2)CCN(C(C)C)CC1.Cc1ccc(F)cc1C(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1 |
| InChI | InChI=1S/C23H37FN4O.2C21H32FN3O2.C21H34FN3O2.C19H30FN3O.C17H22F4N2O.C17H26N2O2/c1-5-26-12-14-27(15-13-26)17-23(8-10-28(11-9-23)18(2)3)25-22(29)21-16-20(24)7-6-19(21)4;1-15(2)25-9-7-21(8-10-25,14-24-12-20(4,27)13-24)23-19(26)18-11-17(22)6-5-16(18)3;1-16(2)25-8-6-21(7-9-25,15-24-10-12-27-13-11-24)23-20(26)19-14-18(22)5-4-17(19)3;1-16(2)25-11-8-21(9-12-25,15-24(4)10-5-13-26)23-20(27)19-14-18(22)7-6-17(19)3;1-14(2)23-10-8-19(9-11-23,13-22(4)5)21-18(24)17-12-16(20)7-6-15(17)3;1-11(2)23-8-6-16(3,7-9-23)22-15(24)13-10-12(18)4-5-14(13)17(19,20)21;1-13(2)19-10-8-17(3,9-11-19)18-16(20)14-6-5-7-15(12-14)21-4/h6-7,16,18H,5,8-15,17H2,1-4H3,(H,25,29);5-6,11,15,27H,7-10,12-14H2,1-4H3,(H,23,26);4-5,14,16H,6-13,15H2,1-3H3,(H,23,26);6-7,14,16,26H,5,8-13,15H2,1-4H3,(H,23,27);6-7,12,14H,8-11,13H2,1-5H3,(H,21,24);4-5,10-11H,6-9H2,1-3H3,(H,22,24);5-7,12-13H,8-11H2,1-4H3,(H,18,20) |
| InChIKey | SNDBIGJNKPEDOZ-UHFFFAOYSA-N |
| XLogP | 18.97 |
| TPSA | 304.74 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2511.34 |
| LogP ≤ 5 | 18.97 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |