C100H198N22O8 — CID 158750647
2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone (PubChem CID 158750647) has the molecular formula C100H198N22O8 and a molecular weight of 1836.83 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone.
| Compound Name | 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone |
|---|---|
| PubChem CID | 158750647 |
| Molecular Formula | C100H198N22O8 |
| Molecular Weight | 1836.83 g/mol |
| Exact Mass | 1835.58 |
| IUPAC Name | 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone |
| SMILES | CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)(C)N1CCNCC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CN(C)CCC(=O)N1CCN(C(C)(C)C)CC1.CN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1 |
| InChI | InChI=1S/C16H30N4O2.C15H30N4O.C14H27N3O.C13H27N3O.C12H22N2O.C12H24N2O.C10H20N2O.C8H18N2/c1-14(21)18-7-5-17(6-8-18)13-15(22)19-9-11-20(12-10-19)16(2,3)4;1-15(2,3)19-11-9-18(10-12-19)14(20)13-17-7-5-16(4)6-8-17;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)16-10-8-15(9-11-16)12(17)6-7-14(4)5;1-12(2,3)14-8-6-13(7-9-14)11(15)10-4-5-10;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-8(2,3)10-6-4-9-5-7-10/h5-13H2,1-4H3;5-13H2,1-4H3;12,15H,4-11H2,1-3H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;9H,4-7H2,1-3H3 |
| InChIKey | INKZKRCVOZYSIG-UHFFFAOYSA-N |
| XLogP | 6.79 |
| TPSA | 225.42 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 130 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1836.83 |
| LogP ≤ 5 | 6.79 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |