C194H378N20O19 — CID 160639204
methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;3-methyl-1-morpholin-4-ylbutan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;2-methyl-8-morpholin-4-yloctan-4-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);tris(6-methyl-1-piperidin-1-ylheptan-4-one);bis(5-methyl-1-piperidin-1-ylhexan-3-one);bis(2-methyl-8-piperidin-1-yloctan-4-one) (PubChem CID 160639204) has the molecular formula C194H378N20O19 and a molecular weight of 3295.28 g/mol. Its IUPAC name is methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;3-methyl-1-morpholin-4-ylbutan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;2-methyl-8-morpholin-4-yloctan-4-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);tris(6-methyl-1-piperidin-1-ylheptan-4-one);bis(5-methyl-1-piperidin-1-ylhexan-3-one);bis(2-methyl-8-piperidin-1-yloctan-4-one).
| Compound Name | methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;3-methyl-1-morpholin-4-ylbutan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;2-methyl-8-morpholin-4-yloctan-4-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);tris(6-methyl-1-piperidin-1-ylheptan-4-one);bis(5-methyl-1-piperidin-1-ylhexan-3-one);bis(2-methyl-8-piperidin-1-yloctan-4-one) |
|---|---|
| PubChem CID | 160639204 |
| Molecular Formula | C194H378N20O19 |
| Molecular Weight | 3295.28 g/mol |
| Exact Mass | 3292.92 |
| IUPAC Name | methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-1-one;6-methyl-1-(4-methylpiperazin-1-yl)heptan-4-one;5-methyl-1-(4-methylpiperazin-1-yl)hexan-3-one;2-methyl-8-(4-methylpiperazin-1-yl)octan-4-one;3-methyl-1-morpholin-4-ylbutan-1-one;5-methyl-1-morpholin-4-ylhexan-3-one;2-methyl-8-morpholin-4-yloctan-4-one;bis(3-methyl-1-piperidin-1-ylbutan-1-one);tris(6-methyl-1-piperidin-1-ylheptan-4-one);bis(5-methyl-1-piperidin-1-ylhexan-3-one);bis(2-methyl-8-piperidin-1-yloctan-4-one) |
| SMILES | C.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCCCC1.CC(C)CC(=O)CCCCN1CCN(C)CC1.CC(C)CC(=O)CCCCN1CCOCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCCCC1.CC(C)CC(=O)CCCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCCCC1.CC(C)CC(=O)CCN1CCN(C)CC1.CC(C)CC(=O)CCN1CCOCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCCCC1.CC(C)CC(=O)N1CCN(C)CC1.CC(C)CC(=O)N1CCOCC1 |
| InChI | InChI=1S/C14H28N2O.2C14H27NO.C13H26N2O.C13H25NO2.3C13H25NO.C12H24N2O.2C12H23NO.C11H21NO2.C10H20N2O.2C10H19NO.C9H17NO2.CH4/c1-13(2)12-14(17)6-4-5-7-16-10-8-15(3)9-11-16;2*1-13(2)12-14(16)8-4-7-11-15-9-5-3-6-10-15;1-12(2)11-13(16)5-4-6-15-9-7-14(3)8-10-15;1-12(2)11-13(15)5-3-4-6-14-7-9-16-10-8-14;3*1-12(2)11-13(15)7-6-10-14-8-4-3-5-9-14;1-11(2)10-12(15)4-5-14-8-6-13(3)7-9-14;2*1-11(2)10-12(14)6-9-13-7-4-3-5-8-13;1-10(2)9-11(13)3-4-12-5-7-14-8-6-12;1-9(2)8-10(13)12-6-4-11(3)5-7-12;2*1-9(2)8-10(12)11-6-4-3-5-7-11;1-8(2)7-9(11)10-3-5-12-6-4-10;/h13H,4-12H2,1-3H3;2*13H,3-12H2,1-2H3;12H,4-11H2,1-3H3;12H,3-11H2,1-2H3;3*12H,3-11H2,1-2H3;11H,4-10H2,1-3H3;2*11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;9H,4-8H2,1-3H3;2*9H,3-8H2,1-2H3;8H,3-7H2,1-2H3;1H4 |
| InChIKey | RIYGHEDCTSKGHL-UHFFFAOYSA-N |
| XLogP | 34.81 |
| TPSA | 365.61 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 233 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3295.28 |
| LogP ≤ 5 | 34.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|