C198H369F3N14O26 — CID 157062366
1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]propyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine (PubChem CID 157062366) has the molecular formula C198H369F3N14O26 and a molecular weight of 3419.20 g/mol. Its IUPAC name is 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]propyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine.
| Compound Name | 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]propyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine |
|---|---|
| PubChem CID | 157062366 |
| Molecular Formula | C198H369F3N14O26 |
| Molecular Weight | 3419.20 g/mol |
| Exact Mass | 3416.79 |
| IUPAC Name | 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]propyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine |
| SMILES | CC(C)(C)C#CCN1CCN(CCCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)OC1CC(OCC2(COCCCOC3CN(C(C)(C)C)C3)COC2)C1.CC(C)(C)OC1CC(OCC2CC(OCCOC3CN(C(C)(C)C)C3)C2)C1.CC(C)(C)OC1CC(OCCC2CC(CCOC3CN(C(C)(C)C)C3)C2)C1.CC(C)(C)OC1CC(Oc2ccc(CCCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OCCCCCOCCCCCC1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCOc1ccc(CCCOC2CN(C(C)(C)C)C2)nc1.CC(C)(C)OCCOCCOC(CC1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(CC1CN(C(C)(C)C)C1)OCCOC1CC(OC(C)(C)C)C1 |
| InChI | InChI=1S/C24H41N3O2.C23H43NO5.C23H43NO3.C23H47NO2.C22H38N2O3.C22H41NO4.C21H39N3O.C20H38F3NO3.C20H39NO3/c1-23(2,3)27-14-12-26(13-15-27)11-7-8-19-9-10-20(18-25-19)28-21-16-22(17-21)29-24(4,5)6;1-21(2,3)24-12-20(13-24)27-9-7-8-25-14-23(15-26-16-23)17-28-18-10-19(11-18)29-22(4,5)6;1-22(2,3)24-15-21(16-24)26-10-8-18-11-17(12-18)7-9-25-19-13-20(14-19)27-23(4,5)6;1-22(2,3)24-16-14-21(15-17-24)13-9-7-10-18-25-19-11-8-12-20-26-23(4,5)6;1-21(2,3)24-16-20(17-24)26-12-7-9-18-10-11-19(15-23-18)25-13-8-14-27-22(4,5)6;1-21(2,3)23-13-20(14-23)25-8-7-24-17-9-16(10-17)15-26-18-11-19(12-18)27-22(4,5)6;1-20(2,3)9-7-10-22-12-14-23(15-13-22)11-8-16-25-19-17-24(18-19)21(4,5)6;1-18(2,3)24-9-7-16(8-10-24)15-17(20(21,22)23)26-13-11-25-12-14-27-19(4,5)6;1-15(10-16-13-21(14-16)19(2,3)4)22-8-9-23-17-11-18(12-17)24-20(5,6)7/h9-10,18,21-22H,7-8,11-17H2,1-6H3;18-20H,7-17H2,1-6H3;17-21H,7-16H2,1-6H3;21H,7-20H2,1-6H3;10-11,15,20H,7-9,12-14,16-17H2,1-6H3;16-20H,7-15H2,1-6H3;19H,8,10-18H2,1-6H3;16-17H,7-15H2,1-6H3;15-18H,8-14H2,1-7H3 |
| InChIKey | ABLZLDRDOMPDCC-UHFFFAOYSA-N |
| XLogP | 36.97 |
| TPSA | 304.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 81 |
| Heavy Atoms | 241 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3419.20 |
| LogP ≤ 5 | 36.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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