2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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

C121H154F3N17O13 — CID 159590085

IUPAC2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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
SMILESCC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ncccc1CN1CCC2(CCC(Cc3ccccc3F)C2)CC1.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C23H29FN2O.C21H27N3O2.C20H26FN3O2.C20H25N3O3.C19H25N3O3.C18H22FN3O2/c1-27-22-20(6-4-12-25-22)17-26-13-10-23(11-14-26)9-8-18(16-23)15-19-5-2-3-7-21(19)24;1-25-21-19(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;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)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;1-23-17-5-3-4-6-18(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/h2-7,12,18H,8-11,13-17H2,1H3;2-4,10-11,16H,5-9,12-15H2,1H3;4-7,9-10,15H,8,11-14H2,1-3H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyMKCXFRLARPNEJI-UHFFFAOYSA-N
MW2111.66 g/mol
LogP20.38
Rot. Bonds38

About 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 159590085) has the molecular formula C121H154F3N17O13 and a molecular weight of 2111.66 g/mol. Its IUPAC name is 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 Name2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 CID159590085
Molecular FormulaC121H154F3N17O13
Molecular Weight2111.66 g/mol
Exact Mass2110.19
IUPAC Name2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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
SMILESCC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ncccc1CN1CCC2(CCC(Cc3ccccc3F)C2)CC1.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C23H29FN2O.C21H27N3O2.C20H26FN3O2.C20H25N3O3.C19H25N3O3.C18H22FN3O2/c1-27-22-20(6-4-12-25-22)17-26-13-10-23(11-14-26)9-8-18(16-23)15-19-5-2-3-7-21(19)24;1-25-21-19(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;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)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;1-23-17-5-3-4-6-18(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/h2-7,12,18H,8-11,13-17H2,1H3;2-4,10-11,16H,5-9,12-15H2,1H3;4-7,9-10,15H,8,11-14H2,1-3H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyMKCXFRLARPNEJI-UHFFFAOYSA-N
XLogP20.38
TPSA289.06 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002111.66
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 with MolForge

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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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 159590085) is 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 CC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ncccc1CN1CCC2(CCC(Cc3ccccc3F)C2)CC1.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 MKCXFRLARPNEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O.C21H27N3O2.C20H26FN3O2.C20H25N3O3.C19H25N3O3.C18H22FN3O2/c1-27-22-20(6-4-12-25-22)17-26-13-10-23(11-14-26)9-8-18(16-23)15-19-5-2-3-7-21(19)24;1-25-21-19(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;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)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;1-23-17-5-3-4-6-18(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/h2-7,12,18H,8-11,13-17H2,1H3;2-4,10-11,16H,5-9,12-15H2,1H3;4-7,9-10,15H,8,11-14H2,1-3H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 2111.66 g/mol, XLogP of 20.38, 38 rotatable bonds, 0 hydrogen bond donors, and 30 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-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-8-azaspiro[4.5]decane;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 159590085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).