C139H168F3N21O8 — CID 158818509
N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide (PubChem CID 158818509) has the molecular formula C139H168F3N21O8 and a molecular weight of 2318.01 g/mol. Its IUPAC name is N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide.
| Compound Name | N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide |
|---|---|
| PubChem CID | 158818509 |
| Molecular Formula | C139H168F3N21O8 |
| Molecular Weight | 2318.01 g/mol |
| Exact Mass | 2316.33 |
| IUPAC Name | N-[[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;3-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-1,1-dimethylurea;N-[[1-[1-[2-[4-(1-hydroxyethyl)phenyl]ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;methyl N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]carbamate;N-[(1-piperidin-4-ylindol-6-yl)methyl]acetamide;N-[[1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]indol-6-yl]methyl]acetamide |
| SMILES | CC(=O)NCc1ccc2c(C#N)cn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(C(C)O)cc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCN(CCc4cccnc4)CC3)c2c1.CC(=O)NCc1ccc2ccn(C3CCNCC3)c2c1.CN(C)C(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.COC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1 |
| InChI | InChI=1S/C26H33N3O2.C25H31FN4O.C25H27FN4O.C24H28FN3O2.C23H28N4O.C16H21N3O/c1-19(30)23-6-3-21(4-7-23)9-13-28-14-11-25(12-15-28)29-16-10-24-8-5-22(17-26(24)29)18-27-20(2)31;1-28(2)25(31)27-18-20-3-6-21-10-16-30(24(21)17-20)23-11-14-29(15-12-23)13-9-19-4-7-22(26)8-5-19;1-18(31)28-16-20-4-7-24-21(15-27)17-30(25(24)14-20)23-9-12-29(13-10-23)11-8-19-2-5-22(26)6-3-19;1-30-24(29)26-17-19-2-5-20-9-15-28(23(20)16-19)22-10-13-27(14-11-22)12-8-18-3-6-21(25)7-4-18;1-18(28)25-17-20-4-5-21-7-14-27(23(21)15-20)22-8-12-26(13-9-22)11-6-19-3-2-10-24-16-19;1-12(20)18-11-13-2-3-14-6-9-19(16(14)10-13)15-4-7-17-8-5-15/h3-8,10,16-17,19,25,30H,9,11-15,18H2,1-2H3,(H,27,31);3-8,10,16-17,23H,9,11-15,18H2,1-2H3,(H,27,31);2-7,14,17,23H,8-13,16H2,1H3,(H,28,31);2-7,9,15-16,22H,8,10-14,17H2,1H3,(H,26,29);2-5,7,10,14-16,22H,6,8-9,11-13,17H2,1H3,(H,25,28);2-3,6,9-10,15,17H,4-5,7-8,11H2,1H3,(H,18,20) |
| InChIKey | IVONPCVJWGFELU-UHFFFAOYSA-N |
| XLogP | 23.08 |
| TPSA | 301.79 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2318.01 |
| LogP ≤ 5 | 23.08 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |