2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

C136H181F7N20O16 — CID 161476390

About 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 161476390) has the molecular formula C136H181F7N20O16 and a molecular weight of 2485.05 g/mol. Its IUPAC name is 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
• PubChem CID: 161476390
• Molecular Formula: C136H181F7N20O16
• Molecular Weight: 2485.05 g/mol
• Exact Mass: 2483.39
• IUPAC Name: 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
• SMILES: CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2OC(F)(F)F)CC1.CCCOc1ccccc1OCC1CCN(C(C)c2nccnc2OC(C)(C)C)CC1.CCOc1ccccc1OCC1CCN(C(C)c2nccnc2OC(C)(C)C)CC1.COc1nccnc1C(C)N1CCC(COc2ccccc2F)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3nccnc3OC(C)(C)C)CC1)C(=O)O2
• InChI: InChI=1S/C25H37N3O3.C24H35N3O3.C23H28F3N3O3.C23H28F3N3O2.C22H29N5O3.C19H24FN3O2/c1-6-17-29-21-9-7-8-10-22(21)30-18-20-11-15-28(16-12-20)19(2)23-24(27-14-13-26-23)31-25(3,4)5;1-6-28-20-9-7-8-10-21(20)29-17-19-11-15-27(16-12-19)18(2)22-23(26-14-13-25-22)30-24(3,4)5;1-22(2,3)32-21-18(27-10-11-28-21)15-29-12-8-16(9-13-29)19(30)14-17-6-4-5-7-20(17)31-23(24,25)26;1-22(2,3)31-21-19(27-10-11-28-21)15-29-12-8-16(9-13-29)20(30)14-17-6-4-5-7-18(17)23(24,25)26;1-15-5-6-19-17(25-15)14-27(21(28)29-19)16-7-11-26(12-8-16)13-18-20(24-10-9-23-18)30-22(2,3)4;1-14(18-19(24-2)22-10-9-21-18)23-11-7-15(8-12-23)13-25-17-6-4-3-5-16(17)20/h7-10,13-14,19-20H,6,11-12,15-18H2,1-5H3;7-10,13-14,18-19H,6,11-12,15-17H2,1-5H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;5-6,9-10,16H,7-8,11-14H2,1-4H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3
• InChIKey: WDTQCTJKBBQWCE-UHFFFAOYSA-N
• XLogP: 26.28
• TPSA: 361.45 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2485.05
LogP ≤ 5	26.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?

The IUPAC name of 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (CID 161476390) is 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.

What is the SMILES notation for 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?

The canonical SMILES for 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2OC(F)(F)F)CC1.CCCOc1ccccc1OCC1CCN(C(C)c2nccnc2OC(C)(C)C)CC1.CCOc1ccccc1OCC1CCN(C(C)c2nccnc2OC(C)(C)C)CC1.COc1nccnc1C(C)N1CCC(COc2ccccc2F)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3nccnc3OC(C)(C)C)CC1)C(=O)O2.

What is the InChIKey of 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?

The InChIKey is WDTQCTJKBBQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3.C24H35N3O3.C23H28F3N3O3.C23H28F3N3O2.C22H29N5O3.C19H24FN3O2/c1-6-17-29-21-9-7-8-10-22(21)30-18-20-11-15-28(16-12-20)19(2)23-24(27-14-13-26-23)31-25(3,4)5;1-6-28-20-9-7-8-10-21(20)29-17-19-11-15-27(16-12-19)18(2)22-23(26-14-13-25-22)30-24(3,4)5;1-22(2,3)32-21-18(27-10-11-28-21)15-29-12-8-16(9-13-29)19(30)14-17-6-4-5-7-20(17)31-23(24,25)26;1-22(2,3)31-21-19(27-10-11-28-21)15-29-12-8-16(9-13-29)20(30)14-17-6-4-5-7-18(17)23(24,25)26;1-15-5-6-19-17(25-15)14-27(21(28)29-19)16-7-11-26(12-8-16)13-18-20(24-10-9-23-18)30-22(2,3)4;1-14(18-19(24-2)22-10-9-21-18)23-11-7-15(8-12-23)13-25-17-6-4-3-5-16(17)20/h7-10,13-14,19-20H,6,11-12,15-18H2,1-5H3;7-10,13-14,18-19H,6,11-12,15-17H2,1-5H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;5-6,9-10,16H,7-8,11-14H2,1-4H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3.

What are the key properties of 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?

2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2485.05 g/mol, XLogP of 26.28, 40 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 161476390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).