5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone

C129H154F7N19O11 — CID 161365193

IUPAC5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(C#N)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C28H33N3O2.C23H29FN4O.C22H28FN3O2.C19H21F2N3O2.C19H22FN3O2.C18H21F2N3O2/c1-28(2,3)33-27-25(29-15-16-30-27)20-31-17-13-22(14-18-31)26(32)19-23-11-7-8-12-24(23)21-9-5-4-6-10-21;1-23(2,3)29-22-21(26-10-11-27-22)16-28-12-8-17(9-13-28)19(15-25)14-18-6-4-5-7-20(18)24;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)20(27)14-16-4-6-18(23)7-5-16;1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)18(24)12-15-4-2-3-5-16(15)20;1-24-18-15(22-17(20)10-21-18)11-23-8-6-13(7-9-23)12-25-16-5-3-2-4-14(16)19/h4-12,15-16,22H,13-14,17-20H2,1-3H3;4-7,10-11,17,19H,8-9,12-14,16H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;2-5,11,13H,6-10,12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-5,10,13H,6-9,11-12H2,1H3
InChIKeyVPSIHHYTBKQKAD-UHFFFAOYSA-N
MW2279.76 g/mol
LogP22.04
Rot. Bonds37

About 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone

5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone (PubChem CID 161365193) has the molecular formula C129H154F7N19O11 and a molecular weight of 2279.76 g/mol. Its IUPAC name is 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone.

Molecular Properties

Compound Name5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone
PubChem CID161365193
Molecular FormulaC129H154F7N19O11
Molecular Weight2279.76 g/mol
Exact Mass2278.20
IUPAC Name5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(C#N)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C28H33N3O2.C23H29FN4O.C22H28FN3O2.C19H21F2N3O2.C19H22FN3O2.C18H21F2N3O2/c1-28(2,3)33-27-25(29-15-16-30-27)20-31-17-13-22(14-18-31)26(32)19-23-11-7-8-12-24(23)21-9-5-4-6-10-21;1-23(2,3)29-22-21(26-10-11-27-22)16-28-12-8-17(9-13-28)19(15-25)14-18-6-4-5-7-20(18)24;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)20(27)14-16-4-6-18(23)7-5-16;1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)18(24)12-15-4-2-3-5-16(15)20;1-24-18-15(22-17(20)10-21-18)11-23-8-6-13(7-9-23)12-25-16-5-3-2-4-14(16)19/h4-12,15-16,22H,13-14,17-20H2,1-3H3;4-7,10-11,17,19H,8-9,12-14,16H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;2-5,11,13H,6-10,12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-5,10,13H,6-9,11-12H2,1H3
InChIKeyVPSIHHYTBKQKAD-UHFFFAOYSA-N
XLogP22.04
TPSA330.80 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002279.76
LogP ≤ 522.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?
The IUPAC name of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone (CID 161365193) is 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone.
What is the SMILES notation for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?
The canonical SMILES for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone is CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccc(F)cc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2ccccc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(C#N)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.COc1ncc(F)nc1CN1CCC(COc2ccccc2F)CC1.COc1nccnc1CN1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?
The InChIKey is VPSIHHYTBKQKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2.C23H29FN4O.C22H28FN3O2.C19H21F2N3O2.C19H22FN3O2.C18H21F2N3O2/c1-28(2,3)33-27-25(29-15-16-30-27)20-31-17-13-22(14-18-31)26(32)19-23-11-7-8-12-24(23)21-9-5-4-6-10-21;1-23(2,3)29-22-21(26-10-11-27-22)16-28-12-8-17(9-13-28)19(15-25)14-18-6-4-5-7-20(18)24;1-22(2,3)28-21-19(24-10-11-25-21)15-26-12-8-17(9-13-26)20(27)14-16-4-6-18(23)7-5-16;1-26-19-16(23-18(21)11-22-19)12-24-8-6-13(7-9-24)17(25)10-14-4-2-3-5-15(14)20;1-25-19-17(21-8-9-22-19)13-23-10-6-14(7-11-23)18(24)12-15-4-2-3-5-16(15)20;1-24-18-15(22-17(20)10-21-18)11-23-8-6-13(7-9-23)12-25-16-5-3-2-4-14(16)19/h4-12,15-16,22H,13-14,17-20H2,1-3H3;4-7,10-11,17,19H,8-9,12-14,16H2,1-3H3;4-7,10-11,17H,8-9,12-15H2,1-3H3;2-5,11,13H,6-10,12H2,1H3;2-5,8-9,14H,6-7,10-13H2,1H3;2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone?
5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone has a molecular weight of 2279.76 g/mol, XLogP of 22.04, 37 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-2-methoxypyrazine;1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)-1-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone;2-(4-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;3-(2-fluorophenyl)-2-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]propanenitrile;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-phenylphenyl)ethanone is sourced from PubChem (CID 161365193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).