2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine

C132H162F3N21O13 — CID 160826708

IUPAC2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine
SMILESCOc1ccccc1CCC1CCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)C1.COc1nccnc1CN1CCC(/C=C/c2ccccc2F)CC1.COc1nccnc1CN1CCC(CC(=O)c2ccccc2F)CC1.COc1nccnc1CN1CCC(CCc2cccc3ccoc23)CC1.COc1nccnc1CN1CCC(CCc2ccccc2F)C1.COc1nccnc1CN1CCC(COc2ccccc2C)C1
InChIInChI=1S/C21H25N3O2.C19H22FN3O2.C19H22FN3O.C19H25N3O2.C18H22FN3O.C18H23N3O3.C18H23N3O2/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;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)12-18(24)15-4-2-3-5-16(15)20;1-24-19-18(21-10-11-22-19)14-23-12-8-15(9-13-23)6-7-16-4-2-3-5-17(16)20;1-23-18-6-4-3-5-16(18)8-7-15-9-12-22(13-15)14-17-19(24-2)21-11-10-20-17;1-23-18-17(20-9-10-21-18)13-22-11-8-14(12-22)6-7-15-4-2-3-5-16(15)19;1-22-16-5-3-4-6-17(16)24-13-14-7-10-21(11-14)12-15-18(23-2)20-9-8-19-15;1-14-5-3-4-6-17(14)23-13-15-7-10-21(11-15)12-16-18(22-2)20-9-8-19-16/h2-4,9-11,14,16H,5-8,12-13,15H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-7,10-11,15H,8-9,12-14H2,1H3;3-6,10-11,15H,7-9,12-14H2,1-2H3;2-5,9-10,14H,6-8,11-13H2,1H3;3-6,8-9,14H,7,10-13H2,1-2H3;3-6,8-9,15H,7,10-13H2,1-2H3/b;;7-6+;;;;
InChIKeySGGRNENEQFMVQD-ZCYWHREESA-N
MW2307.88 g/mol
LogP21.85
Rot. Bonds43

About 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine

2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine (PubChem CID 160826708) has the molecular formula C132H162F3N21O13 and a molecular weight of 2307.88 g/mol. Its IUPAC name is 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine
PubChem CID160826708
Molecular FormulaC132H162F3N21O13
Molecular Weight2307.88 g/mol
Exact Mass2306.26
IUPAC Name2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine
SMILESCOc1ccccc1CCC1CCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)C1.COc1nccnc1CN1CCC(/C=C/c2ccccc2F)CC1.COc1nccnc1CN1CCC(CC(=O)c2ccccc2F)CC1.COc1nccnc1CN1CCC(CCc2cccc3ccoc23)CC1.COc1nccnc1CN1CCC(CCc2ccccc2F)C1.COc1nccnc1CN1CCC(COc2ccccc2C)C1
InChIInChI=1S/C21H25N3O2.C19H22FN3O2.C19H22FN3O.C19H25N3O2.C18H22FN3O.C18H23N3O3.C18H23N3O2/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;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)12-18(24)15-4-2-3-5-16(15)20;1-24-19-18(21-10-11-22-19)14-23-12-8-15(9-13-23)6-7-16-4-2-3-5-17(16)20;1-23-18-6-4-3-5-16(18)8-7-15-9-12-22(13-15)14-17-19(24-2)21-11-10-20-17;1-23-18-17(20-9-10-21-18)13-22-11-8-14(12-22)6-7-15-4-2-3-5-16(15)19;1-22-16-5-3-4-6-17(16)24-13-14-7-10-21(11-14)12-15-18(23-2)20-9-8-19-15;1-14-5-3-4-6-17(14)23-13-15-7-10-21(11-15)12-16-18(22-2)20-9-8-19-16/h2-4,9-11,14,16H,5-8,12-13,15H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-7,10-11,15H,8-9,12-14H2,1H3;3-6,10-11,15H,7-9,12-14H2,1-2H3;2-5,9-10,14H,6-8,11-13H2,1H3;3-6,8-9,14H,7,10-13H2,1-2H3;3-6,8-9,15H,7,10-13H2,1-2H3/b;;7-6+;;;;
InChIKeySGGRNENEQFMVQD-ZCYWHREESA-N
XLogP21.85
TPSA334.88 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds43
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002307.88
LogP ≤ 521.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine (CID 160826708) is 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine is COc1ccccc1CCC1CCN(Cc2nccnc2OC)C1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)C1.COc1nccnc1CN1CCC(/C=C/c2ccccc2F)CC1.COc1nccnc1CN1CCC(CC(=O)c2ccccc2F)CC1.COc1nccnc1CN1CCC(CCc2cccc3ccoc23)CC1.COc1nccnc1CN1CCC(CCc2ccccc2F)C1.COc1nccnc1CN1CCC(COc2ccccc2C)C1.
What is the InChIKey of 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine?
The InChIKey is SGGRNENEQFMVQD-ZCYWHREESA-N. The full InChI is InChI=1S/C21H25N3O2.C19H22FN3O2.C19H22FN3O.C19H25N3O2.C18H22FN3O.C18H23N3O3.C18H23N3O2/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;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)12-18(24)15-4-2-3-5-16(15)20;1-24-19-18(21-10-11-22-19)14-23-12-8-15(9-13-23)6-7-16-4-2-3-5-17(16)20;1-23-18-6-4-3-5-16(18)8-7-15-9-12-22(13-15)14-17-19(24-2)21-11-10-20-17;1-23-18-17(20-9-10-21-18)13-22-11-8-14(12-22)6-7-15-4-2-3-5-16(15)19;1-22-16-5-3-4-6-17(16)24-13-14-7-10-21(11-14)12-15-18(23-2)20-9-8-19-15;1-14-5-3-4-6-17(14)23-13-15-7-10-21(11-15)12-16-18(22-2)20-9-8-19-16/h2-4,9-11,14,16H,5-8,12-13,15H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-7,10-11,15H,8-9,12-14H2,1H3;3-6,10-11,15H,7-9,12-14H2,1-2H3;2-5,9-10,14H,6-8,11-13H2,1H3;3-6,8-9,14H,7,10-13H2,1-2H3;3-6,8-9,15H,7,10-13H2,1-2H3/b;;7-6+;;;;.
What are the key properties of 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine?
2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine has a molecular weight of 2307.88 g/mol, XLogP of 21.85, 43 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[4-[(E)-2-(2-fluorophenyl)ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenyl)ethyl]pyrrolidin-1-yl]methyl]-3-methoxypyrazine;1-(2-fluorophenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-methoxy-3-[[3-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]methyl]pyrazine;2-methoxy-3-[[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 160826708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).