C133H192N12O8 — CID 159547062
1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 159547062) has the molecular formula C133H192N12O8 and a molecular weight of 2087.07 g/mol. Its IUPAC name is 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone.
| Compound Name | 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone |
|---|---|
| PubChem CID | 159547062 |
| Molecular Formula | C133H192N12O8 |
| Molecular Weight | 2087.07 g/mol |
| Exact Mass | 2085.50 |
| IUPAC Name | 1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[3-(4-butylpiperidin-1-yl)propyl]-7-methoxyindole;1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(3-methylbutyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-prop-2-enoxypiperidin-1-yl)propyl]indol-3-yl]ethanone |
| SMILES | C=CCOC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CC(=O)c1cn(CCCN2CCC(CCC(C)C)CC2)c2ccccc12.CC(=O)c1cn(CCCN2CCC(OCC3CC3)CC2)c2ccccc12.CCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.CCCCC1CCN(CCCn2ccc3cccc(OC)c32)CC1.CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1 |
| InChI | InChI=1S/C24H36N2O.C23H34N2O.C22H30N2O2.C22H32N2O.C21H28N2O2.C21H32N2O/c1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26;1-18(2)9-10-20-11-15-24(16-12-20)13-6-14-25-17-22(19(3)26)21-7-4-5-8-23(21)25;1-17(25)21-15-24(22-6-3-2-5-20(21)22)12-4-11-23-13-9-19(10-14-23)26-16-18-7-8-18;1-3-4-8-19-11-15-23(16-12-19)13-7-14-24-17-21(18(2)25)20-9-5-6-10-22(20)24;1-3-15-25-18-9-13-22(14-10-18)11-6-12-23-16-20(17(2)24)19-7-4-5-8-21(19)23;1-3-4-7-18-10-15-22(16-11-18)13-6-14-23-17-12-19-8-5-9-20(24-2)21(19)23/h7-8,11-12,19,21H,3-6,9-10,13-18H2,1-2H3;4-5,7-8,17-18,20H,6,9-16H2,1-3H3;2-3,5-6,15,18-19H,4,7-14,16H2,1H3;5-6,9-10,17,19H,3-4,7-8,11-16H2,1-2H3;3-5,7-8,16,18H,1,6,9-15H2,2H3;5,8-9,12,17-18H,3-4,6-7,10-11,13-16H2,1-2H3 |
| InChIKey | MEXXLFZGANIHFP-UHFFFAOYSA-N |
| XLogP | 29.40 |
| TPSA | 162.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2087.07 |
| LogP ≤ 5 | 29.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|