C119H131F23N4O5 — CID 91085403
3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one (PubChem CID 91085403) has the molecular formula C119H131F23N4O5 and a molecular weight of 2134.33 g/mol. Its IUPAC name is 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one.
| Compound Name | 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one |
|---|---|
| PubChem CID | 91085403 |
| Molecular Formula | C119H131F23N4O5 |
| Molecular Weight | 2134.33 g/mol |
| Exact Mass | 2132.98 |
| IUPAC Name | 3-[3-(4,4-difluoropiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[1-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)piperidin-2-yl]-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;5-methyl-3-[3-(6-methylpiperidin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-one;5-methyl-3-[3-[4-(trifluoromethyl)phenyl]-5-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]phenyl]hexan-2-one |
| SMILES | CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(C2CCCC(C)N2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(N2CCC(F)(F)CC2)c1.COc1ccc(CN2C(c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(CC(C)C)C(C)=O)c3)CCCC2C(F)(F)F)cc1 |
| InChI | InChI=1S/C34H34F9NO.C34H37F6NO2.C26H32F3NO.C25H28F5NO/c1-20(2)15-29(21(3)45)25-16-24(23-9-13-28(14-10-23)33(38,39)40)17-26(18-25)30-5-4-6-31(34(41,42)43)44(30)19-22-7-11-27(12-8-22)32(35,36)37;1-21(2)16-30(22(3)42)26-17-25(24-10-12-28(13-11-24)33(35,36)37)18-27(19-26)31-6-5-7-32(34(38,39)40)41(31)20-23-8-14-29(43-4)15-9-23;1-16(2)12-24(18(4)31)21-13-20(19-8-10-23(11-9-19)26(27,28)29)14-22(15-21)25-7-5-6-17(3)30-25;1-16(2)12-23(17(3)32)20-13-19(18-4-6-21(7-5-18)25(28,29)30)14-22(15-20)31-10-8-24(26,27)9-11-31/h7-14,16-18,20,29-31H,4-6,15,19H2,1-3H3;8-15,17-19,21,30-32H,5-7,16,20H2,1-4H3;8-11,13-17,24-25,30H,5-7,12H2,1-4H3;4-7,13-16,23H,8-12H2,1-3H3 |
| InChIKey | ZAOKCNSBRVLGTG-UHFFFAOYSA-N |
| XLogP | 35.15 |
| TPSA | 99.26 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 151 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2134.33 |
| LogP ≤ 5 | 35.15 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |