C226H483N31O74 — CID 159751456
1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine (PubChem CID 159751456) has the molecular formula C226H483N31O74 and a molecular weight of 4819.49 g/mol. Its IUPAC name is 1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine.
| Compound Name | 1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine |
|---|---|
| PubChem CID | 159751456 |
| Molecular Formula | C226H483N31O74 |
| Molecular Weight | 4819.49 g/mol |
| Exact Mass | 4816.50 |
| IUPAC Name | 1,4-bis(3-methoxypropyl)piperazine;1-[2-(4-methoxybutoxy)ethyl]-4-methylpiperazine;2-(4-methoxybutoxy)-N-methylacetamide;1-(4-methoxybutyl)-4-(2-methoxyethyl)piperazine;2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylacetamide;2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-N-methylacetamide;2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide;2-(2-methoxyethoxy)-N-methylacetamide;4-(2-methoxyethoxy)-N-methylbutanamide;5-(2-methoxyethoxy)-N-methylpentanamide;3-(2-methoxyethoxy)-N-methylpropanamide;1-(7-methoxyheptyl)-4-methylpiperazine;methoxymethane;2-methoxy-N-methylacetamide;4-methoxy-N-methylbutanamide;7-methoxy-N-methylheptanamide;6-methoxy-N-methylhexanamide;5-methoxy-N-methylpentanamide;3-methoxy-N-methylpropanamide;2-(3-methoxypropoxy)-N-methylacetamide;4-(3-methoxypropoxy)-N-methylbutanamide;3-(3-methoxypropoxy)-N-methylpropanamide;1-methyl-4-[4-(4-methylpiperazin-1-yl)butyl]piperazine |
| SMILES | CN1CCN(CCCCN2CCN(C)CC2)CC1.CNC(=O)CCCCCCOC.CNC(=O)CCCCCOC.CNC(=O)CCCCOC.CNC(=O)CCCCOCCOC.CNC(=O)CCCOC.CNC(=O)CCCOCCCOC.CNC(=O)CCCOCCOC.CNC(=O)CCOC.CNC(=O)CCOCCCOC.CNC(=O)CCOCCOC.CNC(=O)COC.CNC(=O)COCCCCOC.CNC(=O)COCCCOC.CNC(=O)COCCOC.CNC(=O)COCCOCCOC.CNC(=O)COCCOCCOCCOC.CNC(=O)COCCOCCOCCOCCOC.CNC(=O)COCCOCCOCCOCCOCCOC.CNC(=O)COCCOCCOCCOCCOCCOCCOC.COC.COCCCCCCCN1CCN(C)CC1.COCCCCN1CCN(CCOC)CC1.COCCCCOCCN1CCN(C)CC1.COCCCN1CCN(CCCOC)CC1 |
| InChI | InChI=1S/C16H33NO8.C14H30N4.C14H29NO7.C13H28N2O.3C12H26N2O2.C12H25NO6.C10H21NO5.2C9H19NO3.C9H19NO2.C8H17NO4.3C8H17NO3.C8H17NO2.2C7H15NO3.C7H15NO2.C6H13NO3.C6H13NO2.C5H11NO2.C4H9NO2.C2H6O/c1-17-16(18)15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-19-2;1-15-7-11-17(12-8-15)5-3-4-6-18-13-9-16(2)10-14-18;1-15-14(16)13-22-12-11-21-10-9-20-8-7-19-6-5-18-4-3-17-2;1-14-9-11-15(12-10-14)8-6-4-3-5-7-13-16-2;1-15-11-3-5-13-7-9-14(10-8-13)6-4-12-16-2;1-13-5-7-14(8-6-13)9-12-16-11-4-3-10-15-2;1-15-11-4-3-5-13-6-8-14(9-7-13)10-12-16-2;1-13-12(14)11-19-10-9-18-8-7-17-6-5-16-4-3-15-2;1-11-10(12)9-16-8-7-15-6-5-14-4-3-13-2;1-10-9(11)5-3-7-13-8-4-6-12-2;1-10-9(11)5-3-4-6-13-8-7-12-2;1-10-9(11)7-5-3-4-6-8-12-2;1-9-8(10)7-13-6-5-12-4-3-11-2;1-9-8(10)4-7-12-6-3-5-11-2;1-9-8(10)4-3-5-12-7-6-11-2;1-9-8(10)7-12-6-4-3-5-11-2;1-9-8(10)6-4-3-5-7-11-2;1-8-7(9)3-4-11-6-5-10-2;1-8-7(9)6-11-5-3-4-10-2;1-8-7(9)5-3-4-6-10-2;1-7-6(8)5-10-4-3-9-2;1-7-6(8)4-3-5-9-2;1-6-5(7)3-4-8-2;1-5-4(6)3-7-2;1-3-2/h3-15H2,1-2H3,(H,17,18);3-14H2,1-2H3;3-13H2,1-2H3,(H,15,16);3-13H2,1-2H3;3*3-12H2,1-2H3;3-11H2,1-2H3,(H,13,14);3-9H2,1-2H3,(H,11,12);2*3-8H2,1-2H3,(H,10,11);3-8H2,1-2H3,(H,10,11);3-7H2,1-2H3,(H,9,10);3*3-7H2,1-2H3,(H,9,10);3-7H2,1-2H3,(H,9,10);2*3-6H2,1-2H3,(H,8,9);3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);3-5H2,1-2H3,(H,7,8);3-4H2,1-2H3,(H,6,7);3H2,1-2H3,(H,5,6);1-2H3 |
| InChIKey | NDRXOEXLSNVWPT-UHFFFAOYSA-N |
| XLogP | 4.36 |
| TPSA | 1099.43 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 86 |
| Rotatable Bonds | 188 |
| Heavy Atoms | 331 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4819.49 |
| LogP ≤ 5 | 4.36 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 86 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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