C153H188Cl2F2N18O10 — CID 160706113
6-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;6-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-4-methoxy-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 160706113) has the molecular formula C153H188Cl2F2N18O10 and a molecular weight of 2548.20 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;6-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-4-methoxy-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
| Compound Name | 6-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;6-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-4-methoxy-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 160706113 |
| Molecular Formula | C153H188Cl2F2N18O10 |
| Molecular Weight | 2548.20 g/mol |
| Exact Mass | 2545.41 |
| IUPAC Name | 6-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;6-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-4-methoxy-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-4-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide |
| SMILES | CCN(CC1CCCN(Cc2ccc(C)cc2)C1)C(=O)c1cc2c(F)cccc2[nH]1.CCN(CC1CCCN(Cc2ccc(C)cc2)C1)C(=O)c1cc2c(OC)cccc2[nH]1.CCN(CC1CCCN(Cc2ccc(C)cc2)C1)C(=O)c1cc2ccc(Cl)cc2[nH]1.CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2c(F)cccc2[nH]1.CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2ccc(Cl)cc2[nH]1.CCc1ccc(CN2CCCC(CN(CC)C(=O)c3cc4c(OC)cccc4[nH]3)C2)cc1 |
| InChI | InChI=1S/C27H35N3O2.C26H33N3O2.C25H30ClN3O2.C25H30ClN3O.C25H30FN3O2.C25H30FN3O/c1-4-20-11-13-21(14-12-20)17-29-15-7-8-22(18-29)19-30(5-2)27(31)25-16-23-24(28-25)9-6-10-26(23)32-3;1-4-29(26(30)24-15-22-23(27-24)8-5-9-25(22)31-3)18-21-7-6-14-28(17-21)16-20-12-10-19(2)11-13-20;1-3-29(25(30)24-13-20-8-9-21(26)14-23(20)27-24)17-19-5-4-12-28(16-19)15-18-6-10-22(31-2)11-7-18;1-3-29(25(30)24-13-21-10-11-22(26)14-23(21)27-24)17-20-5-4-12-28(16-20)15-19-8-6-18(2)7-9-19;1-3-29(25(30)24-14-21-22(26)7-4-8-23(21)27-24)17-19-6-5-13-28(16-19)15-18-9-11-20(31-2)12-10-18;1-3-29(25(30)24-14-21-22(26)7-4-8-23(21)27-24)17-20-6-5-13-28(16-20)15-19-11-9-18(2)10-12-19/h6,9-14,16,22,28H,4-5,7-8,15,17-19H2,1-3H3;5,8-13,15,21,27H,4,6-7,14,16-18H2,1-3H3;6-11,13-14,19,27H,3-5,12,15-17H2,1-2H3;6-11,13-14,20,27H,3-5,12,15-17H2,1-2H3;4,7-12,14,19,27H,3,5-6,13,15-17H2,1-2H3;4,7-12,14,20,27H,3,5-6,13,15-17H2,1-2H3 |
| InChIKey | RRGDQKRXUAIYDE-UHFFFAOYSA-N |
| XLogP | 30.36 |
| TPSA | 272.96 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2548.20 |
| LogP ≤ 5 | 30.36 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 16 |