2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
C117H147F2N19O16 — CID 158466174
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
SMILESCOc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1.COc1nccnc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C21H27N3O2.C20H23FN4O3.C20H25N3O3.2C19H25N3O3.C18H22FN3O2/c1-25-21-19(22-10-11-23-21)15-24-12-7-16(8-13-24)5-6-17-3-2-4-18-9-14-26-20(17)18;1-27-18-17(22-8-9-23-18)13-24-10-6-20(7-11-24)14-25(19(26)28-20)12-15-4-2-3-5-16(15)21;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;1-23-17-7-3-4-8-18(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;1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-4,10-11,16H,5-9,12-15H2,1H3;2-5,8-9H,6-7,10-14H2,1H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-4,7-10,15H,5-6,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyHFTVUTKLGDIPTD-UHFFFAOYSA-N
MW2113.58 g/mol
LogP17.23
Rot. Bonds38
About 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone (PubChem CID 158466174) has the molecular formula C117H147F2N19O16 and a molecular weight of 2113.58 g/mol. Its IUPAC name is 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone.
Molecular Properties
| Compound Name | 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone |
|---|---|
| PubChem CID | 158466174 |
| Molecular Formula | C117H147F2N19O16 |
| Molecular Weight | 2113.58 g/mol |
| Exact Mass | 2112.12 |
| IUPAC Name | 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)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.COc1ccccc1OCC1CCCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1.COc1nccnc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2 |
| InChI | InChI=1S/C21H27N3O2.C20H23FN4O3.C20H25N3O3.2C19H25N3O3.C18H22FN3O2/c1-25-21-19(22-10-11-23-21)15-24-12-7-16(8-13-24)5-6-17-3-2-4-18-9-14-26-20(17)18;1-27-18-17(22-8-9-23-18)13-24-10-6-20(7-11-24)14-25(19(26)28-20)12-15-4-2-3-5-16(15)21;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;1-23-17-7-3-4-8-18(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;1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-4,10-11,16H,5-9,12-15H2,1H3;2-5,8-9H,6-7,10-14H2,1H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-4,7-10,15H,5-6,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3 |
| InChIKey | HFTVUTKLGDIPTD-UHFFFAOYSA-N |
| XLogP | 17.23 |
| TPSA | 340.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 154 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2113.58 |
| LogP ≤ 5 | 17.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |
Frequently Asked Questions
What is the IUPAC name of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone (CID 158466174) is 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone is COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1.COc1nccnc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The InChIKey is HFTVUTKLGDIPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.C20H23FN4O3.C20H25N3O3.2C19H25N3O3.C18H22FN3O2/c1-25-21-19(22-10-11-23-21)15-24-12-7-16(8-13-24)5-6-17-3-2-4-18-9-14-26-20(17)18;1-27-18-17(22-8-9-23-18)13-24-10-6-20(7-11-24)14-25(19(26)28-20)12-15-4-2-3-5-16(15)21;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;1-23-17-7-3-4-8-18(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;1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-4,10-11,16H,5-9,12-15H2,1H3;2-5,8-9H,6-7,10-14H2,1H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-4,7-10,15H,5-6,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3.
What are the key properties of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone has a molecular weight of 2113.58 g/mol, XLogP of 17.23, 38 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(3-methoxypyrazin-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 158466174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158466174 — identifiers, structure, computed properties (public domain)
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