C140H170F6N20O11 — CID 157440087
N-[(1S)-1-[4-[1-(2-cyano-6-ethoxy-3-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-cyclobutyloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-pyrimidin-5-yloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]phenyl]ethyl]acetamide (PubChem CID 157440087) has the molecular formula C140H170F6N20O11 and a molecular weight of 2423.02 g/mol. Its IUPAC name is N-[(1S)-1-[4-[1-(2-cyano-6-ethoxy-3-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-cyclobutyloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-pyrimidin-5-yloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]phenyl]ethyl]acetamide.
| Compound Name | N-[(1S)-1-[4-[1-(2-cyano-6-ethoxy-3-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-cyclobutyloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-pyrimidin-5-yloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]phenyl]ethyl]acetamide |
|---|---|
| PubChem CID | 157440087 |
| Molecular Formula | C140H170F6N20O11 |
| Molecular Weight | 2423.02 g/mol |
| Exact Mass | 2421.33 |
| IUPAC Name | N-[(1S)-1-[4-[1-(2-cyano-6-ethoxy-3-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-cyclobutyloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[4-[(2,2-difluorocyclopropyl)methoxy]-2-fluorophenyl]piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(4-propan-2-yloxyphenyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-(2-pyrimidin-5-yloxy-4-pyridinyl)piperidin-4-yl]phenyl]ethyl]acetamide;N-[(1S)-1-[4-[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]phenyl]ethyl]acetamide |
| SMILES | CC(=O)N[C@@H](C)c1ccc(C2CCN(c3ccc(OC(C)C)cc3)CC2)cc1.CC(=O)N[C@@H](C)c1ccc(C2CCN(c3ccc(OCC4CC4(F)F)cc3F)CC2)cc1.CC(=O)N[C@@H](C)c1ccc(C2CCN(c3ccnc(C(F)(F)F)n3)CC2)cc1.CC(=O)N[C@@H](C)c1ccc(C2CCN(c3ccnc(OC4CCC4)c3)CC2)cc1.CC(=O)N[C@@H](C)c1ccc(C2CCN(c3ccnc(Oc4cncnc4)c3)CC2)cc1.CCOc1ccc(N2CCC(c3ccc([C@H](C)NC(C)=O)cc3)CC2)c(C#N)n1 |
| InChI | InChI=1S/C25H29F3N2O2.C24H27N5O2.C24H31N3O2.C24H32N2O2.C23H28N4O2.C20H23F3N4O/c1-16(29-17(2)31)18-3-5-19(6-4-18)20-9-11-30(12-10-20)24-8-7-22(13-23(24)26)32-15-21-14-25(21,27)28;1-17(28-18(2)30)19-3-5-20(6-4-19)21-8-11-29(12-9-21)22-7-10-27-24(13-22)31-23-14-25-16-26-15-23;1-17(26-18(2)28)19-6-8-20(9-7-19)21-11-14-27(15-12-21)22-10-13-25-24(16-22)29-23-4-3-5-23;1-17(2)28-24-11-9-23(10-12-24)26-15-13-22(14-16-26)21-7-5-20(6-8-21)18(3)25-19(4)27;1-4-29-23-10-9-22(21(15-24)26-23)27-13-11-20(12-14-27)19-7-5-18(6-8-19)16(2)25-17(3)28;1-13(25-14(2)28)15-3-5-16(6-4-15)17-8-11-27(12-9-17)18-7-10-24-19(26-18)20(21,22)23/h3-8,13,16,20-21H,9-12,14-15H2,1-2H3,(H,29,31);3-7,10,13-17,21H,8-9,11-12H2,1-2H3,(H,28,30);6-10,13,16-17,21,23H,3-5,11-12,14-15H2,1-2H3,(H,26,28);5-12,17-18,22H,13-16H2,1-4H3,(H,25,27);5-10,16,20H,4,11-14H2,1-3H3,(H,25,28);3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,25,28)/t16-,21?;2*17-;18-;16-;13-/m000000/s1 |
| InChIKey | BROKGFILBBZTNM-NSKCEGPGSA-N |
| XLogP | 27.34 |
| TPSA | 354.21 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2423.02 |
| LogP ≤ 5 | 27.34 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
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