C106H136Cl4N10O12S — CID 159187469
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one (PubChem CID 159187469) has the molecular formula C106H136Cl4N10O12S and a molecular weight of 1916.19 g/mol. Its IUPAC name is 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one.
| Compound Name | 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one |
|---|---|
| PubChem CID | 159187469 |
| Molecular Formula | C106H136Cl4N10O12S |
| Molecular Weight | 1916.19 g/mol |
| Exact Mass | 1912.88 |
| IUPAC Name | 1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one |
| SMILES | CC(=O)c1cn(CCCN2CCC(CCOc3ccc(Cl)cc3)CC2)c2c(Cl)cccc12.CCC(=O)c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(OC)cccc12.CCN(CC)C(=O)C1CCCN(CCCn2cc(C(C)=O)c3cccc(OC)c32)C1.COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12 |
| InChI | InChI=1S/C30H40ClN3O3.C26H30Cl2N2O2.C26H31ClN2O4S.C24H35N3O3/c1-22(2)20-32-30(35)27-21-34(29-26(27)6-4-7-28(29)36-3)16-5-15-33-17-12-23(13-18-33)14-19-37-25-10-8-24(31)9-11-25;1-19(31)24-18-30(26-23(24)4-2-5-25(26)28)14-3-13-29-15-10-20(11-16-29)12-17-32-22-8-6-21(27)7-9-22;1-3-24(30)23-18-29(26-22(23)6-4-7-25(26)33-2)15-5-14-28-16-12-21(13-17-28)34(31,32)20-10-8-19(27)9-11-20;1-5-26(6-2)24(29)19-10-8-13-25(16-19)14-9-15-27-17-21(18(3)28)20-11-7-12-22(30-4)23(20)27/h4,6-11,21-23H,5,12-20H2,1-3H3,(H,32,35);2,4-9,18,20H,3,10-17H2,1H3;4,6-11,18,21H,3,5,12-17H2,1-2H3;7,11-12,17,19H,5-6,8-10,13-16H2,1-4H3 |
| InChIKey | KNRAKBQVGWJXRQ-UHFFFAOYSA-N |
| XLogP | 22.03 |
| TPSA | 213.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 133 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1916.19 |
| LogP ≤ 5 | 22.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 20 |