C157H305F3N28O14 — CID 161005109
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;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)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 161005109) has the molecular formula C157H305F3N28O14 and a molecular weight of 2866.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;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)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide.
| Compound Name | 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;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)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide |
|---|---|
| PubChem CID | 161005109 |
| Molecular Formula | C157H305F3N28O14 |
| Molecular Weight | 2866.34 g/mol |
| Exact Mass | 2864.40 |
| IUPAC Name | 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2,3-dimethylbutanamide;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;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)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide |
| SMILES | CC(C)C(C)C(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)C(C)C(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)N1CCC(CN(C)C)(NC(=O)OCC2CC2)CC1.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.COC1(CC(=O)NC2(CN(C)C)CCN(C(C)C)CC2)CC1 |
| InChI | InChI=1S/C21H42N4O.C20H38N4O.C20H40N4O.C19H37N3O2.C17H33N3O2.C17H35N3O.C16H31N3O2.C14H23F3N2O2.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;1-15(2)17(5)18(23)20-19(14-21-10-12-24-13-11-21)6-8-22(9-7-19)16(3)4;1-14(2)20-10-8-16(9-11-20,13-19(3)4)18-15(21)12-17(22-5)6-7-17;1-13(2)15(5)16(21)18-17(12-19(6)7)8-10-20(11-9-17)14(3)4;1-13(2)19-9-7-16(8-10-19,12-18(3)4)17-15(20)21-11-14-5-6-14;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)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);15-17H,6-14H2,1-5H3,(H,20,23);14H,6-13H2,1-5H3,(H,18,21);13-15H,8-12H2,1-7H3,(H,18,21);13-14H,5-12H2,1-4H3,(H,17,20);9-11,20H,3-8H2,1-2H3,(H,18,21);9-12,16H,5-8H2,1-4H3,(H,14,17) |
| InChIKey | TWKBFELRWDIWCV-UHFFFAOYSA-N |
| XLogP | 16.33 |
| TPSA | 391.61 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2866.34 |
| LogP ≤ 5 | 16.33 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 33 |