C154H200F2N24O19 — CID 157225656
2-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[2-(2-methoxyphenoxy)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone (PubChem CID 157225656) has the molecular formula C154H200F2N24O19 and a molecular weight of 2729.44 g/mol. Its IUPAC name is 2-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[2-(2-methoxyphenoxy)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone.
| Compound Name | 2-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[2-(2-methoxyphenoxy)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone |
|---|---|
| PubChem CID | 157225656 |
| Molecular Formula | C154H200F2N24O19 |
| Molecular Weight | 2729.44 g/mol |
| Exact Mass | 2727.54 |
| IUPAC Name | 2-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-methoxy-3-[[4-[2-(2-methoxyphenoxy)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone |
| SMILES | COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1CCC1CCCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCCC1CCN(Cc2nccnc2OC)CC1.COc1nccnc1CN1CCCC(CCc2ccccc2F)C1.COc1nccnc1CN1CCCC(COc2ccccc2C)C1.COc1nccnc1CN1CCCC(COc2ccccc2F)C1 |
| InChI | InChI=1S/C20H27N3O3.C20H25N3O3.C20H27N3O2.C19H24FN3O.2C19H25N3O3.C19H25N3O2.C18H22FN3O2/c1-24-18-5-3-4-6-19(18)26-14-9-16-7-12-23(13-8-16)15-17-20(25-2)22-11-10-21-17;1-25-19-6-4-3-5-16(19)18(24)13-15-7-11-23(12-8-15)14-17-20(26-2)22-10-9-21-17;1-24-19-8-4-3-7-17(19)10-9-16-6-5-13-23(14-16)15-18-20(25-2)22-12-11-21-18;1-24-19-18(21-10-11-22-19)14-23-12-4-5-15(13-23)8-9-16-6-2-3-7-17(16)20;1-23-17-7-3-4-8-18(17)25-14-15-6-5-11-22(12-15)13-16-19(24-2)21-10-9-20-16;1-23-17-5-3-4-6-18(17)25-14-15-7-11-22(12-8-15)13-16-19(24-2)21-10-9-20-16;1-15-6-3-4-8-18(15)24-14-16-7-5-11-22(12-16)13-17-19(23-2)21-10-9-20-17;1-23-18-16(20-8-9-21-18)12-22-10-4-5-14(11-22)13-24-17-7-3-2-6-15(17)19/h3-6,10-11,16H,7-9,12-15H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-4,7-8,11-12,16H,5-6,9-10,13-15H2,1-2H3;2-3,6-7,10-11,15H,4-5,8-9,12-14H2,1H3;3-4,7-10,15H,5-6,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-4,6,8-10,16H,5,7,11-14H2,1-2H3;2-3,6-9,14H,4-5,10-13H2,1H3 |
| InChIKey | ATMVATWPCSFXHZ-UHFFFAOYSA-N |
| XLogP | 24.53 |
| TPSA | 415.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2729.44 |
| LogP ≤ 5 | 24.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |