C134H174F9N17O5 — CID 160587445
4-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-2-one;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-3-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methylphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine (PubChem CID 160587445) has the molecular formula C134H174F9N17O5 and a molecular weight of 2273.96 g/mol. Its IUPAC name is 4-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-2-one;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-3-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methylphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine.
| Compound Name | 4-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-2-one;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-3-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methylphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine |
|---|---|
| PubChem CID | 160587445 |
| Molecular Formula | C134H174F9N17O5 |
| Molecular Weight | 2273.96 g/mol |
| Exact Mass | 2272.37 |
| IUPAC Name | 4-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperazin-2-one;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-3-amine;3-[3-(2-ethyl-4-methoxyphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-(2-ethyl-4-methylphenyl)-5-[(4-ethylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[(4-methylpiperidin-1-yl)methyl]indol-1-yl]propan-1-amine |
| SMILES | CCc1cc(C)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(C)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCC(N)C3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCNC(=O)C3)cc12.CCc1cc(OC)ccc1-c1cn(CCCN)c2ccc(CN3CCC(CC)CC3)cc12 |
| InChI | InChI=1S/C28H39N3O.C28H39N3.C27H34F3N3O.C26H33F3N4O.C25H29F3N4O2/c1-4-21-11-15-30(16-12-21)19-22-7-10-28-26(17-22)27(20-31(28)14-6-13-29)25-9-8-24(32-3)18-23(25)5-2;1-4-22-11-15-30(16-12-22)19-23-8-10-28-26(18-23)27(20-31(28)14-6-13-29)25-9-7-21(3)17-24(25)5-2;1-3-21-16-22(34-27(28,29)30)6-7-23(21)25-18-33(12-4-11-31)26-8-5-20(15-24(25)26)17-32-13-9-19(2)10-14-32;1-2-19-14-21(34-26(27,28)29)7-8-22(19)24-17-33(12-4-10-30)25-9-6-18(13-23(24)25)15-32-11-3-5-20(31)16-32;1-2-18-13-19(34-25(26,27)28)5-6-20(18)22-15-32(10-3-8-29)23-7-4-17(12-21(22)23)14-31-11-9-30-24(33)16-31/h7-10,17-18,20-21H,4-6,11-16,19,29H2,1-3H3;7-10,17-18,20,22H,4-6,11-16,19,29H2,1-3H3;5-8,15-16,18-19H,3-4,9-14,17,31H2,1-2H3;6-9,13-14,17,20H,2-5,10-12,15-16,30-31H2,1H3;4-7,12-13,15H,2-3,8-11,14,16,29H2,1H3,(H,30,33) |
| InChIKey | RCORVVYPNUZDPI-UHFFFAOYSA-N |
| XLogP | 27.44 |
| TPSA | 262.99 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2273.96 |
| LogP ≤ 5 | 27.44 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |