C165H263FN26O16S — CID 158919206
tris(2-cyclohexyl-3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide);2-(2-fluorophenyl)-1-hydroxy-5-phenylpentan-3-one;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylpropanamide;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylpropanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-2-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-4-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-2-yl)butanamide;2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylbutanamide (PubChem CID 158919206) has the molecular formula C165H263FN26O16S and a molecular weight of 2918.15 g/mol. Its IUPAC name is tris(2-cyclohexyl-3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide);2-(2-fluorophenyl)-1-hydroxy-5-phenylpentan-3-one;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylpropanamide;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylpropanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-2-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-4-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-2-yl)butanamide;2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylbutanamide.
| Compound Name | tris(2-cyclohexyl-3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide);2-(2-fluorophenyl)-1-hydroxy-5-phenylpentan-3-one;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylpropanamide;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylpropanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-2-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-4-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-2-yl)butanamide;2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylbutanamide |
|---|---|
| PubChem CID | 158919206 |
| Molecular Formula | C165H263FN26O16S |
| Molecular Weight | 2918.15 g/mol |
| Exact Mass | 2916.03 |
| IUPAC Name | tris(2-cyclohexyl-3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide);2-(2-fluorophenyl)-1-hydroxy-5-phenylpentan-3-one;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylpropanamide;3-hydroxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylpropanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-2-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-piperidin-4-ylbutanamide;N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1,3-thiazol-2-yl)butanamide;2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-pyrimidin-2-ylbutanamide |
| SMILES | CCC(C(=O)NC1CC2CCC(C1)N2C)C1CCCCN1.CCC(C(=O)NC1CC2CCC(C1)N2C)C1CCNCC1.CCC(C(=O)NC1CC2CCC(C1)N2C)c1nccs1.CCC(C)(C(=O)NC1CC2CCC(C1)N2C)c1ncccn1.CN1C2CCC1CC(NC(=O)C(CO)C1CCCCC1)C2.CN1C2CCC1CC(NC(=O)C(CO)C1CCCCC1)C2.CN1C2CCC1CC(NC(=O)C(CO)C1CCCCC1)C2.CN1C2CCC1CC(NC(=O)C(CO)c1ccccn1)C2.CN1C2CCC1CC(NC(=O)C(CO)c1ncccn1)C2.O=C(CCc1ccccc1)C(CO)c1ccccc1F |
| InChI | InChI=1S/C17H17FO2.C17H26N4O.2C17H31N3O.3C17H30N2O2.C16H23N3O2.C15H22N4O2.C15H23N3OS/c18-16-9-5-4-8-14(16)15(12-19)17(20)11-10-13-6-2-1-3-7-13;1-4-17(2,15-18-8-5-9-19-15)16(22)20-12-10-13-6-7-14(11-12)21(13)3;1-3-16(12-6-8-18-9-7-12)17(21)19-13-10-14-4-5-15(11-13)20(14)2;1-3-15(16-6-4-5-9-18-16)17(21)19-12-10-13-7-8-14(11-12)20(13)2;3*1-19-14-7-8-15(19)10-13(9-14)18-17(21)16(11-20)12-5-3-2-4-6-12;1-19-12-5-6-13(19)9-11(8-12)18-16(21)14(10-20)15-4-2-3-7-17-15;1-19-11-3-4-12(19)8-10(7-11)18-15(21)13(9-20)14-16-5-2-6-17-14;1-3-13(15-16-6-7-20-15)14(19)17-10-8-11-4-5-12(9-10)18(11)2/h1-9,15,19H,10-12H2;5,8-9,12-14H,4,6-7,10-11H2,1-3H3,(H,20,22);2*12-16,18H,3-11H2,1-2H3,(H,19,21);3*12-16,20H,2-11H2,1H3,(H,18,21);2-4,7,11-14,20H,5-6,8-10H2,1H3,(H,18,21);2,5-6,10-13,20H,3-4,7-9H2,1H3,(H,18,21);6-7,10-13H,3-5,8-9H2,1-2H3,(H,17,19) |
| InChIKey | JHPWAZCILACWHA-UHFFFAOYSA-N |
| XLogP | 17.96 |
| TPSA | 530.91 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2918.15 |
| LogP ≤ 5 | 17.96 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 34 |