C140H272N28O18 — CID 158985519
butyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-(dimethylamino)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;[2-(dimethylamino)-2-oxoethyl] 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;hexyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoic acid;2-morpholin-4-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate (PubChem CID 158985519) has the molecular formula C140H272N28O18 and a molecular weight of 2635.89 g/mol. Its IUPAC name is butyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-(dimethylamino)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;[2-(dimethylamino)-2-oxoethyl] 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;hexyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoic acid;2-morpholin-4-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate.
| Compound Name | butyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-(dimethylamino)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;[2-(dimethylamino)-2-oxoethyl] 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;hexyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoic acid;2-morpholin-4-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate |
|---|---|
| PubChem CID | 158985519 |
| Molecular Formula | C140H272N28O18 |
| Molecular Weight | 2635.89 g/mol |
| Exact Mass | 2634.12 |
| IUPAC Name | butyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-(dimethylamino)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;[2-(dimethylamino)-2-oxoethyl] 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;ethyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;hexyl 2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate;2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoic acid;2-morpholin-4-ylethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propanoate |
| SMILES | CC(C(=O)OCCCN(C)C)N1CCC(N2CCN(C)CC2)CC1.CC(C(=O)OCCN(C)C)N1CCC(N2CCN(C)CC2)CC1.CC(C(=O)OCCN1CCOCC1)N1CCC(N2CCN(C)CC2)CC1.CCCCCCOC(=O)C(C)(C)N1CCC(N2CCN(C)CC2)CC1.CCCCOC(=O)C(C)(C)N1CCC(N2CCN(C)CC2)CC1.CCOC(=O)C(C)(C)N1CCC(N2CCN(C)CC2)CC1.CN1CCN(C2CCN(C(C)(C)C(=O)O)CC2)CC1.CN1CCN(C2CCN(C(C)(C)C(=O)OCC(=O)N(C)C)CC2)CC1 |
| InChI | InChI=1S/C20H39N3O2.C19H36N4O3.C18H34N4O3.C18H36N4O2.C18H35N3O2.C17H34N4O2.C16H31N3O2.C14H27N3O2/c1-5-6-7-8-17-25-19(24)20(2,3)23-11-9-18(10-12-23)22-15-13-21(4)14-16-22;1-17(19(24)26-16-13-21-11-14-25-15-12-21)22-5-3-18(4-6-22)23-9-7-20(2)8-10-23;1-18(2,17(24)25-14-16(23)19(3)4)22-8-6-15(7-9-22)21-12-10-20(5)11-13-21;1-16(18(23)24-15-5-8-19(2)3)21-9-6-17(7-10-21)22-13-11-20(4)12-14-22;1-5-6-15-23-17(22)18(2,3)21-9-7-16(8-10-21)20-13-11-19(4)12-14-20;1-15(17(22)23-14-13-18(2)3)20-7-5-16(6-8-20)21-11-9-19(4)10-12-21;1-5-21-15(20)16(2,3)19-8-6-14(7-9-19)18-12-10-17(4)11-13-18;1-14(2,13(18)19)17-6-4-12(5-7-17)16-10-8-15(3)9-11-16/h18H,5-17H2,1-4H3;17-18H,3-16H2,1-2H3;15H,6-14H2,1-5H3;16-17H,5-15H2,1-4H3;16H,5-15H2,1-4H3;15-16H,5-14H2,1-4H3;14H,5-13H2,1-4H3;12H,4-11H2,1-3H3,(H,18,19) |
| InChIKey | JPNGFCZITUYKPW-UHFFFAOYSA-N |
| XLogP | 6.87 |
| TPSA | 338.42 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2635.89 |
| LogP ≤ 5 | 6.87 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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