C152H193F3N16O2 — CID 161107748
3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)methyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one (PubChem CID 161107748) has the molecular formula C152H193F3N16O2 and a molecular weight of 2333.32 g/mol. Its IUPAC name is 3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)methyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one.
| Compound Name | 3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)methyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one |
|---|---|
| PubChem CID | 161107748 |
| Molecular Formula | C152H193F3N16O2 |
| Molecular Weight | 2333.32 g/mol |
| Exact Mass | 2331.54 |
| IUPAC Name | 3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-5-fluoro-1H-indole;3-[2-(6-ethyl-2-azabicyclo[2.2.2]octan-2-yl)ethyl]-1H-indole;3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-6-fluoro-1H-indole;2-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole;3-[(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)methyl]-1H-indole;3-[3-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)propyl]-1H-indole;7-ethyl-2-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one;7-ethyl-2-[2-(1H-indol-3-yl)ethyl]-2-azabicyclo[2.2.2]octan-6-one |
| SMILES | CCC1CC2C=CC1N(CCCc1c[nH]c3ccccc13)C2.CCC1CC2C=CC1N(CCc1c[nH]c3cc(F)ccc13)C2.CCC1CC2C=CC1N(CCc1cc3ccccc3[nH]1)C2.CCC1CC2C=CC1N(Cc1c[nH]c3ccccc13)C2.CCC1CC2CC(=O)C1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1CC2CC(=O)C1N(CCc1c[nH]c3ccccc13)C2.CCC1CC2CCC1N(CCc1c[nH]c3ccc(F)cc13)C2.CCC1CC2CCC1N(CCc1c[nH]c3ccccc13)C2 |
| InChI | InChI=1S/C20H26N2.C19H23FN2O.C19H25FN2.C19H23FN2.C19H24N2O.C19H26N2.C19H24N2.C18H22N2/c1-2-16-12-15-9-10-20(16)22(14-15)11-5-6-17-13-21-19-8-4-3-7-18(17)19;1-2-13-7-12-8-18(23)19(13)22(11-12)6-5-14-10-21-17-4-3-15(20)9-16(14)17;1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-5-4-16(20)10-17(15)18;1-2-14-9-13-3-6-19(14)22(12-13)8-7-15-11-21-18-10-16(20)4-5-17(15)18;1-2-14-9-13-10-18(22)19(14)21(12-13)8-7-15-11-20-17-6-4-3-5-16(15)17;1-2-15-11-14-7-8-19(15)21(13-14)10-9-16-12-20-18-6-4-3-5-17(16)18;1-2-15-11-14-7-8-19(15)21(13-14)10-9-17-12-16-5-3-4-6-18(16)20-17;1-2-14-9-13-7-8-18(14)20(11-13)12-15-10-19-17-6-4-3-5-16(15)17/h3-4,7-10,13,15-16,20-21H,2,5-6,11-12,14H2,1H3;3-4,9-10,12-13,19,21H,2,5-8,11H2,1H3;4-5,10-11,13-14,19,21H,2-3,6-9,12H2,1H3;3-6,10-11,13-14,19,21H,2,7-9,12H2,1H3;3-6,11,13-14,19-20H,2,7-10,12H2,1H3;3-6,12,14-15,19-20H,2,7-11,13H2,1H3;3-8,12,14-15,19-20H,2,9-11,13H2,1H3;3-8,10,13-14,18-19H,2,9,11-12H2,1H3 |
| InChIKey | UJGYPUXYFSCASK-UHFFFAOYSA-N |
| XLogP | 31.99 |
| TPSA | 186.38 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 173 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2333.32 |
| LogP ≤ 5 | 31.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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