C123H202N20O15 — CID 159646700
N-methyl-2-[4-[4-(4-methylphenoxy)butyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperidin-4-yl]acetamide;N-methyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[5-(4-methylphenoxy)pentyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 159646700) has the molecular formula C123H202N20O15 and a molecular weight of 2201.09 g/mol. Its IUPAC name is N-methyl-2-[4-[4-(4-methylphenoxy)butyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperidin-4-yl]acetamide;N-methyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[5-(4-methylphenoxy)pentyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetamide.
| Compound Name | N-methyl-2-[4-[4-(4-methylphenoxy)butyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperidin-4-yl]acetamide;N-methyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[5-(4-methylphenoxy)pentyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetamide |
|---|---|
| PubChem CID | 159646700 |
| Molecular Formula | C123H202N20O15 |
| Molecular Weight | 2201.09 g/mol |
| Exact Mass | 2199.57 |
| IUPAC Name | N-methyl-2-[4-[4-(4-methylphenoxy)butyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperazin-1-yl]acetamide;N-methyl-2-[1-[2-[2-(4-methylphenoxy)ethoxy]ethyl]piperidin-4-yl]acetamide;N-methyl-2-[1-[2-(4-methylphenoxy)ethyl]piperidin-4-yl]acetamide;N-methyl-2-[4-[5-(4-methylphenoxy)pentyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[3-(4-methylphenoxy)propyl]piperazin-1-yl]acetamide;N-methyl-2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetamide |
| SMILES | CNC(=O)CC1CCN(CCOCCOc2ccc(C)cc2)CC1.CNC(=O)CC1CCN(CCOc2ccc(C)cc2)CC1.CNC(=O)CN1CCN(CCCCCOc2ccc(C)cc2)CC1.CNC(=O)CN1CCN(CCCCOc2ccc(C)cc2)CC1.CNC(=O)CN1CCN(CCCOc2ccc(C)cc2)CC1.CNC(=O)CN1CCN(CCN2CCC(C)CC2)CC1.CNC(=O)CN1CCN(CCOCCOc2ccc(C)cc2)CC1 |
| InChI | InChI=1S/C19H31N3O2.C19H30N2O3.C18H29N3O3.C18H29N3O2.C17H27N3O2.C17H26N2O2.C15H30N4O/c1-17-6-8-18(9-7-17)24-15-5-3-4-10-21-11-13-22(14-12-21)16-19(23)20-2;1-16-3-5-18(6-4-16)24-14-13-23-12-11-21-9-7-17(8-10-21)15-19(22)20-2;1-16-3-5-17(6-4-16)24-14-13-23-12-11-20-7-9-21(10-8-20)15-18(22)19-2;1-16-5-7-17(8-6-16)23-14-4-3-9-20-10-12-21(13-11-20)15-18(22)19-2;1-15-4-6-16(7-5-15)22-13-3-8-19-9-11-20(12-10-19)14-17(21)18-2;1-14-3-5-16(6-4-14)21-12-11-19-9-7-15(8-10-19)13-17(20)18-2;1-14-3-5-17(6-4-14)7-8-18-9-11-19(12-10-18)13-15(20)16-2/h6-9H,3-5,10-16H2,1-2H3,(H,20,23);3-6,17H,7-15H2,1-2H3,(H,20,22);3-6H,7-15H2,1-2H3,(H,19,22);5-8H,3-4,9-15H2,1-2H3,(H,19,22);4-7H,3,8-14H2,1-2H3,(H,18,21);3-6,15H,7-13H2,1-2H3,(H,18,20);14H,3-13H2,1-2H3,(H,16,20) |
| InChIKey | MRAWRRGPWVFZDK-UHFFFAOYSA-N |
| XLogP | 9.85 |
| TPSA | 319.66 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2201.09 |
| LogP ≤ 5 | 9.85 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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