C122H156F6N10O10 — CID 159241917
N-[1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]-2-fluorophenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-ethoxyphenyl)piperidin-1-yl]phenyl]ethyl]-2,2-difluoropropanamide;N-[1-[2-fluoro-4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[2-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[3-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide (PubChem CID 159241917) has the molecular formula C122H156F6N10O10 and a molecular weight of 2036.64 g/mol. Its IUPAC name is N-[1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]-2-fluorophenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-ethoxyphenyl)piperidin-1-yl]phenyl]ethyl]-2,2-difluoropropanamide;N-[1-[2-fluoro-4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[2-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[3-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide.
| Compound Name | N-[1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]-2-fluorophenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-ethoxyphenyl)piperidin-1-yl]phenyl]ethyl]-2,2-difluoropropanamide;N-[1-[2-fluoro-4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[2-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[3-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide |
|---|---|
| PubChem CID | 159241917 |
| Molecular Formula | C122H156F6N10O10 |
| Molecular Weight | 2036.64 g/mol |
| Exact Mass | 2035.19 |
| IUPAC Name | N-[1-[4-[4-(4-cyclobutyloxyphenyl)piperidin-1-yl]-2-fluorophenyl]ethyl]acetamide;N-[(1S)-1-[4-[4-(4-ethoxyphenyl)piperidin-1-yl]phenyl]ethyl]-2,2-difluoropropanamide;N-[1-[2-fluoro-4-[4-(2-methyl-4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[2-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide;N-[1-[3-fluoro-4-[4-(4-propoxyphenyl)piperidin-1-yl]phenyl]ethyl]acetamide |
| SMILES | CC(=O)NC(C)c1ccc(N2CCC(c3ccc(OC4CCC4)cc3)CC2)cc1F.CCCOc1ccc(C2CCN(c3ccc(C(C)NC(C)=O)c(F)c3)CC2)c(C)c1.CCCOc1ccc(C2CCN(c3ccc(C(C)NC(C)=O)c(F)c3)CC2)cc1.CCCOc1ccc(C2CCN(c3ccc(C(C)NC(C)=O)cc3F)CC2)cc1.CCOc1ccc(C2CCN(c3ccc([C@H](C)NC(=O)C(C)(F)F)cc3)CC2)cc1 |
| InChI | InChI=1S/C25H31FN2O2.C25H33FN2O2.C24H30F2N2O2.2C24H31FN2O2/c1-17(27-18(2)29)24-11-8-21(16-25(24)26)28-14-12-20(13-15-28)19-6-9-23(10-7-19)30-22-4-3-5-22;1-5-14-30-22-7-9-23(17(2)15-22)20-10-12-28(13-11-20)21-6-8-24(25(26)16-21)18(3)27-19(4)29;1-4-30-22-11-7-19(8-12-22)20-13-15-28(16-14-20)21-9-5-18(6-10-21)17(2)27-23(29)24(3,25)26;1-4-15-29-22-8-5-19(6-9-22)20-11-13-27(14-12-20)21-7-10-23(24(25)16-21)17(2)26-18(3)28;1-4-15-29-22-8-5-19(6-9-22)20-11-13-27(14-12-20)24-10-7-21(16-23(24)25)17(2)26-18(3)28/h6-11,16-17,20,22H,3-5,12-15H2,1-2H3,(H,27,29);6-9,15-16,18,20H,5,10-14H2,1-4H3,(H,27,29);5-12,17,20H,4,13-16H2,1-3H3,(H,27,29);2*5-10,16-17,20H,4,11-15H2,1-3H3,(H,26,28)/t;;17-;;/m..0../s1 |
| InChIKey | KUEYFQDXXNHGPL-MWLBJWAUSA-N |
| XLogP | 26.54 |
| TPSA | 207.85 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 148 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2036.64 |
| LogP ≤ 5 | 26.54 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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