C118H135N15O15S2 — CID 159953516
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 159953516) has the molecular formula C118H135N15O15S2 and a molecular weight of 2067.60 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide.
| Compound Name | N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159953516 |
| Molecular Formula | C118H135N15O15S2 |
| Molecular Weight | 2067.60 g/mol |
| Exact Mass | 2065.97 |
| IUPAC Name | N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-ethyl-1H-indole-2-carboxamide;N-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-1H-indole-2-carboxamide |
| SMILES | CCN(CC1CCN(C2Cc3ccccc3C2)CC1)C(=O)c1cc2ccccc2[nH]1.COc1ccc(CC(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)cc1.COc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)cc1.COc1cccc(CC(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)c1.COc1cccc(S(=O)(=O)N2CCC(CNC(=O)c3cc4ccccc4[nH]3)CC2)c1 |
| InChI | InChI=1S/C26H31N3O.2C24H27N3O3.2C22H25N3O4S/c1-2-28(26(30)25-17-22-9-5-6-10-24(22)27-25)18-19-11-13-29(14-12-19)23-15-20-7-3-4-8-21(20)16-23;1-30-20-7-4-5-18(13-20)14-23(28)27-11-9-17(10-12-27)16-25-24(29)22-15-19-6-2-3-8-21(19)26-22;1-30-20-8-6-17(7-9-20)14-23(28)27-12-10-18(11-13-27)16-25-24(29)22-15-19-4-2-3-5-21(19)26-22;1-29-18-6-4-7-19(14-18)30(27,28)25-11-9-16(10-12-25)15-23-22(26)21-13-17-5-2-3-8-20(17)24-21;1-29-18-6-8-19(9-7-18)30(27,28)25-12-10-16(11-13-25)15-23-22(26)21-14-17-4-2-3-5-20(17)24-21/h3-10,17,19,23,27H,2,11-16,18H2,1H3;2-8,13,15,17,26H,9-12,14,16H2,1H3,(H,25,29);2-9,15,18,26H,10-14,16H2,1H3,(H,25,29);2-8,13-14,16,24H,9-12,15H2,1H3,(H,23,26);2-9,14,16,24H,10-13,15H2,1H3,(H,23,26) |
| InChIKey | OCKNHDBRGRNLTH-UHFFFAOYSA-N |
| XLogP | 17.30 |
| TPSA | 371.20 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2067.60 |
| LogP ≤ 5 | 17.30 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 16 |