C87H97F5N14O8 — CID 158686142
1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 158686142) has the molecular formula C87H97F5N14O8 and a molecular weight of 1561.81 g/mol. Its IUPAC name is 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone.
| Compound Name | 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone |
|---|---|
| PubChem CID | 158686142 |
| Molecular Formula | C87H97F5N14O8 |
| Molecular Weight | 1561.81 g/mol |
| Exact Mass | 1560.75 |
| IUPAC Name | 1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone;[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone |
| SMILES | CCCC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.CCN1CC(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)CC1=O.Cn1cnc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)c1.O=C(CO)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.O=C(c1ccno1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 |
| InChI | InChI=1S/C20H24FN3O2.C18H19FN4O.C17H16FN3O2.C17H21FN2O.C15H17FN2O2/c1-2-23-12-14(9-19(23)25)20(26)24-7-5-13(6-8-24)17-11-22-18-10-15(21)3-4-16(17)18;1-22-10-17(21-11-22)18(24)23-6-4-12(5-7-23)15-9-20-16-8-13(19)2-3-14(15)16;18-12-1-2-13-14(10-19-15(13)9-12)11-4-7-21(8-5-11)17(22)16-3-6-20-23-16;1-2-3-17(21)20-8-6-12(7-9-20)15-11-19-16-10-13(18)4-5-14(15)16;16-11-1-2-12-13(8-17-14(12)7-11)10-3-5-18(6-4-10)15(20)9-19/h3-4,10-11,13-14,22H,2,5-9,12H2,1H3;2-3,8-12,20H,4-7H2,1H3;1-3,6,9-11,19H,4-5,7-8H2;4-5,10-12,19H,2-3,6-9H2,1H3;1-2,7-8,10,17,19H,3-6,9H2 |
| InChIKey | IFTLGBMZOPXZQQ-UHFFFAOYSA-N |
| XLogP | 15.07 |
| TPSA | 264.89 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1561.81 |
| LogP ≤ 5 | 15.07 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 11 |