C137H284N32O28 — CID 158444676
2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylacetamide;2-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[5-[2-(4-methylpiperazin-1-yl)ethoxy]pentoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide (PubChem CID 158444676) has the molecular formula C137H284N32O28 and a molecular weight of 2827.97 g/mol. Its IUPAC name is 2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylacetamide;2-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[5-[2-(4-methylpiperazin-1-yl)ethoxy]pentoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide.
| Compound Name | 2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylacetamide;2-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[5-[2-(4-methylpiperazin-1-yl)ethoxy]pentoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide |
|---|---|
| PubChem CID | 158444676 |
| Molecular Formula | C137H284N32O28 |
| Molecular Weight | 2827.97 g/mol |
| Exact Mass | 2826.18 |
| IUPAC Name | 2-[4-(4-methoxybutyl)piperazin-1-yl]-N-methylacetamide;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-methylacetamide;2-[1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide;2-[4-(3-methoxypropyl)piperazin-1-yl]-N-methylacetamide;N-methyl-2-[4-(4-methylpiperazin-1-yl)butoxy]acetamide;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]butoxy]acetamide;N-methyl-2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]acetamide;N-methyl-2-[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]acetamide;N-methyl-2-[5-[2-(4-methylpiperazin-1-yl)ethoxy]pentoxy]acetamide;N-methyl-2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetamide;N-methyl-2-[5-(4-methylpiperazin-1-yl)pentoxy]acetamide |
| SMILES | CNC(=O)CC1CCN(CCOC)CC1.CNC(=O)CN1CCN(CCCCOC)CC1.CNC(=O)CN1CCN(CCCOC)CC1.CNC(=O)CN1CCN(CCOC)CC1.CNC(=O)COCCCCCN1CCN(C)CC1.CNC(=O)COCCCCCOCCN1CCN(C)CC1.CNC(=O)COCCCCN1CCN(C)CC1.CNC(=O)COCCCCOCCN1CCN(C)CC1.CNC(=O)COCCCOCCN1CCN(C)CC1.CNC(=O)COCCOCCN1CCN(C)CC1.CNC(=O)COCCOCCOCCN1CCN(C)CC1 |
| InChI | InChI=1S/C15H31N3O3.C14H29N3O4.C14H29N3O3.C13H27N3O3.C13H27N3O2.C12H25N3O3.2C12H25N3O2.C11H23N3O2.C11H22N2O2.C10H21N3O2/c1-16-15(19)14-21-12-5-3-4-11-20-13-10-18-8-6-17(2)7-9-18;1-15-14(18)13-21-12-11-20-10-9-19-8-7-17-5-3-16(2)4-6-17;1-15-14(18)13-20-11-4-3-10-19-12-9-17-7-5-16(2)6-8-17;1-14-13(17)12-19-10-3-9-18-11-8-16-6-4-15(2)5-7-16;1-14-13(17)12-18-11-5-3-4-6-16-9-7-15(2)8-10-16;1-13-12(16)11-18-10-9-17-8-7-15-5-3-14(2)4-6-15;1-13-12(16)11-15-8-6-14(7-9-15)5-3-4-10-17-2;1-13-12(16)11-17-10-4-3-5-15-8-6-14(2)7-9-15;1-12-11(15)10-14-7-5-13(6-8-14)4-3-9-16-2;1-12-11(14)9-10-3-5-13(6-4-10)7-8-15-2;1-11-10(14)9-13-5-3-12(4-6-13)7-8-15-2/h3-14H2,1-2H3,(H,16,19);3-13H2,1-2H3,(H,15,18);3-13H2,1-2H3,(H,15,18);3-12H2,1-2H3,(H,14,17);3-12H2,1-2H3,(H,14,17);3-11H2,1-2H3,(H,13,16);2*3-11H2,1-2H3,(H,13,16);3-10H2,1-2H3,(H,12,15);10H,3-9H2,1-2H3,(H,12,14);3-9H2,1-2H3,(H,11,14) |
| InChIKey | HDFZZKFUPXKWDV-UHFFFAOYSA-N |
| XLogP | -3.99 |
| TPSA | 545.05 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 87 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2827.97 |
| LogP ≤ 5 | -3.99 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 49 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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