C97H202N24O6 — CID 159146038
1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea (PubChem CID 159146038) has the molecular formula C97H202N24O6 and a molecular weight of 1800.84 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea.
| Compound Name | 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea |
|---|---|
| PubChem CID | 159146038 |
| Molecular Formula | C97H202N24O6 |
| Molecular Weight | 1800.84 g/mol |
| Exact Mass | 1799.62 |
| IUPAC Name | 1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-(2-methylpropyl)urea;1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-propan-2-ylurea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-(2-methylpropyl)urea;1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-propan-2-ylurea |
| SMILES | CC(C)CNC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CNC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)NC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CCN1CCN(CC2(NC(=O)NC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)NCC(C)C)CCN(C(C)C)CC2)CC1 |
| InChI | InChI=1S/C20H41N5O.C19H39N5O.C16H34N4O.C15H32N4O.C14H29N3O.C13H27N3O/c1-6-23-11-13-24(14-12-23)16-20(22-19(26)21-15-17(2)3)7-9-25(10-8-20)18(4)5;1-6-22-11-13-23(14-12-22)15-19(21-18(25)20-16(2)3)7-9-24(10-8-19)17(4)5;1-13(2)11-17-15(21)18-16(12-19(5)6)7-9-20(10-8-16)14(3)4;1-12(2)16-14(20)17-15(11-18(5)6)7-9-19(10-8-15)13(3)4;1-11(2)10-15-13(18)16-14(5)6-8-17(9-7-14)12(3)4;1-10(2)14-12(17)15-13(5)6-8-16(9-7-13)11(3)4/h17-18H,6-16H2,1-5H3,(H2,21,22,26);16-17H,6-15H2,1-5H3,(H2,20,21,25);13-14H,7-12H2,1-6H3,(H2,17,18,21);12-13H,7-11H2,1-6H3,(H2,16,17,20);11-12H,6-10H2,1-5H3,(H2,15,16,18);10-11H,6-9H2,1-5H3,(H2,14,15,17) |
| InChIKey | KIRPRFCKMYUWAY-UHFFFAOYSA-N |
| XLogP | 10.80 |
| TPSA | 285.66 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 127 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1800.84 |
| LogP ≤ 5 | 10.80 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 18 |