C137H180N26O2 — CID 160628590
1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile (PubChem CID 160628590) has the molecular formula C137H180N26O2 and a molecular weight of 2223.13 g/mol. Its IUPAC name is 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile.
| Compound Name | 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile |
|---|---|
| PubChem CID | 160628590 |
| Molecular Formula | C137H180N26O2 |
| Molecular Weight | 2223.13 g/mol |
| Exact Mass | 2221.48 |
| IUPAC Name | 1-[3-(1H-indol-2-yl)phenyl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-piperazin-1-ylethyl)piperidin-4-amine;3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one;2-[3-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]piperidin-1-yl]phenyl]-1H-indole-5-carbonitrile |
| SMILES | CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5cc(C#N)ccc5[nH]4)c3)CC2)CC1.CN1CCN(C(=O)CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.CN1CCN(C2(CNC3CCN(c4cccc(-c5cc6ccccc6[nH]5)c4)CC3)CCCCC2)CC1.CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1 |
| InChI | InChI=1S/C31H43N5.C28H34N6O.C27H35N5O.C26H35N5.C25H33N5/c1-34-18-20-36(21-19-34)31(14-5-2-6-15-31)24-32-27-12-16-35(17-13-27)28-10-7-9-25(22-28)30-23-26-8-3-4-11-29(26)33-30;1-32-13-15-34(16-14-32)28(35)7-10-30-24-8-11-33(12-9-24)25-4-2-3-22(18-25)27-19-23-17-21(20-29)5-6-26(23)31-27;1-30-15-17-32(18-16-30)27(33)9-12-28-23-10-13-31(14-11-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)29-26;1-29-15-17-30(18-16-29)14-11-27-23-9-12-31(13-10-23)24-7-4-6-21(19-24)26-20-22-5-2-3-8-25(22)28-26;1-2-7-24-21(4-1)19-25(28-24)20-5-3-6-23(18-20)30-13-8-22(9-14-30)27-12-17-29-15-10-26-11-16-29/h3-4,7-11,22-23,27,32-33H,2,5-6,12-21,24H2,1H3;2-6,17-19,24,30-31H,7-16H2,1H3;2-8,19-20,23,28-29H,9-18H2,1H3;2-8,19-20,23,27-28H,9-18H2,1H3;1-7,18-19,22,26-28H,8-17H2 |
| InChIKey | RHPZPUIPUKYWHW-UHFFFAOYSA-N |
| XLogP | 19.27 |
| TPSA | 254.42 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2223.13 |
| LogP ≤ 5 | 19.27 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 21 |