C126H140F10N22O14 — CID 159705646
3-[[4-fluoro-4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]-3-oxopiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-fluoro-4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(2-pyridin-3-ylacetyl)piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 159705646) has the molecular formula C126H140F10N22O14 and a molecular weight of 2376.63 g/mol. Its IUPAC name is 3-[[4-fluoro-4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]-3-oxopiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-fluoro-4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(2-pyridin-3-ylacetyl)piperidin-1-yl]methyl]-1H-pyrazin-2-one.
| Compound Name | 3-[[4-fluoro-4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]-3-oxopiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-fluoro-4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(2-pyridin-3-ylacetyl)piperidin-1-yl]methyl]-1H-pyrazin-2-one |
|---|---|
| PubChem CID | 159705646 |
| Molecular Formula | C126H140F10N22O14 |
| Molecular Weight | 2376.63 g/mol |
| Exact Mass | 2375.08 |
| IUPAC Name | 3-[[4-fluoro-4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]methyl]-1H-pyrazin-2-one;6-[[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)ethyl]-3-oxopiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-fluoro-4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-(2-pyridin-3-ylacetyl)piperidin-1-yl]methyl]-1H-pyrazin-2-one |
| SMILES | C[C@@H]1CN(Cc2ncc[nH]c2=O)CC[C@H]1C(=O)Cc1ccccc1F.O=C(Cc1ccccc1C(F)(F)F)C1(F)CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1(F)CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1F)C1CCN(Cc2cncc(=O)[nH]2)CC1.O=C(Cc1cccnc1)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C1CN(Cc2ncc[nH]c2=O)CCC1CCc1ccccc1F.O=c1cncc(CN2CCC(COc3ccccc3F)CC2)[nH]1 |
| InChI | InChI=1S/C19H19F4N3O2.C19H22FN3O2.C18H19F2N3O2.2C18H20FN3O2.C17H20FN3O2.C17H20N4O2/c20-18(16(27)11-13-3-1-2-4-14(13)19(21,22)23)5-9-26(10-6-18)12-15-17(28)25-8-7-24-15;1-13-11-23(12-17-19(25)22-8-7-21-17)9-6-15(13)18(24)10-14-4-2-3-5-16(14)20;19-14-4-2-1-3-13(14)11-16(24)18(20)5-9-23(10-6-18)12-15-17(25)22-8-7-21-15;19-16-4-2-1-3-14(16)9-17(23)13-5-7-22(8-6-13)12-15-10-20-11-18(24)21-15;19-15-4-2-1-3-13(15)5-6-14-7-10-22(12-17(14)23)11-16-18(24)21-9-8-20-16;18-15-3-1-2-4-16(15)23-12-13-5-7-21(8-6-13)11-14-9-19-10-17(22)20-14;22-16(10-13-2-1-5-18-11-13)14-3-8-21(9-4-14)12-15-17(23)20-7-6-19-15/h1-4,7-8H,5-6,9-12H2,(H,25,28);2-5,7-8,13,15H,6,9-12H2,1H3,(H,22,25);1-4,7-8H,5-6,9-12H2,(H,22,25);1-4,10-11,13H,5-9,12H2,(H,21,24);1-4,8-9,14H,5-7,10-12H2,(H,21,24);1-4,9-10,13H,5-8,11-12H2,(H,20,22);1-2,5-7,11,14H,3-4,8-10,12H2,(H,20,23)/t;13-,15-;;;;;/m.1...../s1 |
| InChIKey | MYEDCUNMQFWUKF-PXEFBRSJSA-N |
| XLogP | 14.36 |
| TPSA | 467.47 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 172 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2376.63 |
| LogP ≤ 5 | 14.36 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |