C132H253F6N23O12 — CID 162205605
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 162205605) has the molecular formula C132H253F6N23O12 and a molecular weight of 2468.61 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
| Compound Name | 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide |
|---|---|
| PubChem CID | 162205605 |
| Molecular Formula | C132H253F6N23O12 |
| Molecular Weight | 2468.61 g/mol |
| Exact Mass | 2466.98 |
| IUPAC Name | 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide |
| SMILES | CC(C)C(C)C(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)C(C)C(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1.CCN1CCN(CC2(NC(=O)C(C)C(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)CC(C)C)CCN(C(C)C)CC2)CC1.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1 |
| InChI | InChI=1S/C21H42N4O.C20H38N4O.C20H40N4O.C17H35N3O.C14H23F3N2O2.C14H28N2O2.C13H21F3N2O2.C13H26N2O2/c1-7-23-12-14-24(15-13-23)16-21(22-20(26)19(6)17(2)3)8-10-25(11-9-21)18(4)5;1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3;1-6-22-11-13-23(14-12-22)16-20(21-19(25)15-17(2)3)7-9-24(10-8-20)18(4)5;1-13(2)15(5)16(21)18-17(12-19(6)7)8-10-20(11-9-17)14(3)4;1-9(2)19-7-4-10(11(20)8-19)18-12(21)13(5-3-6-13)14(15,16)17;1-9(2)11(5)14(18)15-12-6-7-16(10(3)4)8-13(12)17;1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16/h17-19H,7-16H2,1-6H3,(H,22,26);17-18H,4-16H2,1-3H3,(H,21,25);17-18H,6-16H2,1-5H3,(H,21,25);13-15H,8-12H2,1-7H3,(H,18,21);9-11,20H,3-8H2,1-2H3,(H,18,21);9-13,17H,6-8H2,1-5H3,(H,15,18);8-10,19H,3-7H2,1-2H3,(H,17,20);9-12,16H,5-8H2,1-4H3,(H,14,17) |
| InChIKey | ZSDMPTPAXAQNPX-UHFFFAOYSA-N |
| XLogP | 13.48 |
| TPSA | 362.32 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2468.61 |
| LogP ≤ 5 | 13.48 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 27 |