C105H207N17O12 — CID 158791008
N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 158791008) has the molecular formula C105H207N17O12 and a molecular weight of 1899.92 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
| Compound Name | N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one |
|---|---|
| PubChem CID | 158791008 |
| Molecular Formula | C105H207N17O12 |
| Molecular Weight | 1899.92 g/mol |
| Exact Mass | 1898.61 |
| IUPAC Name | N-ethyl-3-methyl-N-propylbutanamide;N-ethyl-2-methyl-N-propylpropanamide;3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one;3-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-one;2-methyl-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one;4-(2-methylpropanoyl)-N-(2-methylpropyl)piperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one |
| SMILES | CC(C)C(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(C(=O)C(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCN(CC(C)C)CC1.CC(C)CN1CCN(C(=O)C(C)C)CC1.CC(C)CNC(=O)N1CCN(C(=O)C(C)C)CC1.CCCN(CC)C(=O)C(C)C.CCCN(CC)C(=O)CC(C)C |
| InChI | InChI=1S/C13H25N3O2.C13H24N2O2.C13H26N2O.C12H22N2O2.2C12H24N2O.C11H22N2O.C10H21NO.C9H19NO/c1-10(2)9-14-13(18)16-7-5-15(6-8-16)12(17)11(3)4;1-10(2)9-12(16)14-5-7-15(8-6-14)13(17)11(3)4;1-11(2)9-13(16)15-7-5-14(6-8-15)10-12(3)4;1-9(2)11(15)13-5-7-14(8-6-13)12(16)10(3)4;1-10(2)9-13-5-7-14(8-6-13)12(15)11(3)4;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-5-7-11(6-2)10(12)8-9(3)4;1-5-7-10(6-2)9(11)8(3)4/h10-11H,5-9H2,1-4H3,(H,14,18);10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3;9-10H,5-8H2,1-4H3;2*10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;9H,5-8H2,1-4H3;8H,5-7H2,1-4H3 |
| InChIKey | ISGWESXAYHMBQQ-UHFFFAOYSA-N |
| XLogP | 13.73 |
| TPSA | 268.71 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 134 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1899.92 |
| LogP ≤ 5 | 13.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |