1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone

C133H172F9N19O13 — CID 160877737

About 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone

1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone (PubChem CID 160877737) has the molecular formula C133H172F9N19O13 and a molecular weight of 2415.94 g/mol. Its IUPAC name is 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone.

Molecular Properties

• Compound Name: 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
• PubChem CID: 160877737
• Molecular Formula: C133H172F9N19O13
• Molecular Weight: 2415.94 g/mol
• Exact Mass: 2414.32
• IUPAC Name: 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
• SMILES: CC(C)(C)Oc1cncc(CN2CCC(C(=O)Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccnc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2F)CC1.COC1(OC)CN(Cc2nccnc2OC(C)(C)C)CCC1CCc1ccccc1F
• InChI: InChI=1S/C24H34FN3O3.C23H27F4N3O2.C22H27F2N3O2.C22H28FN3O2.C21H28FN3O2.C21H28N4O2/c1-23(2,3)31-22-21(26-13-14-27-22)16-28-15-12-19(24(17-28,29-4)30-5)11-10-18-8-6-7-9-20(18)25;1-21(2,3)32-20-18(28-10-11-29-20)15-30-12-8-22(24,9-13-30)19(31)14-16-6-4-5-7-17(16)23(25,26)27;1-21(2,3)29-20-18(25-10-11-26-20)15-27-12-8-22(24,9-13-27)19(28)14-16-6-4-5-7-17(16)23;1-22(2,3)28-21-14-24-13-18(25-21)15-26-10-8-16(9-11-26)20(27)12-17-6-4-5-7-19(17)23;1-21(2,3)27-20-13-23-12-17(24-20)14-25-10-8-16(9-11-25)15-26-19-7-5-4-6-18(19)22;1-21(2,3)27-20-18(23-9-10-24-20)15-25-11-6-17(7-12-25)19(26)13-16-5-4-8-22-14-16/h6-9,13-14,19H,10-12,15-17H2,1-5H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,13-14,16H,8-12,15H2,1-3H3;4-7,12-13,16H,8-11,14-15H2,1-3H3;4-5,8-10,14,17H,6-7,11-13,15H2,1-3H3
• InChIKey: SMPUNFKJRHUGIM-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 338.36 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 38
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2415.94
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?

The IUPAC name of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone (CID 160877737) is 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone.

What is the SMILES notation for 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?

The canonical SMILES for 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone is CC(C)(C)Oc1cncc(CN2CCC(C(=O)Cc3ccccc3F)CC2)n1.CC(C)(C)Oc1cncc(CN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccnc2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(F)(C(=O)Cc2ccccc2F)CC1.COC1(OC)CN(Cc2nccnc2OC(C)(C)C)CCC1CCc1ccccc1F.

What is the InChIKey of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?

The InChIKey is SMPUNFKJRHUGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3.C23H27F4N3O2.C22H27F2N3O2.C22H28FN3O2.C21H28FN3O2.C21H28N4O2/c1-23(2,3)31-22-21(26-13-14-27-22)16-28-15-12-19(24(17-28,29-4)30-5)11-10-18-8-6-7-9-20(18)25;1-21(2,3)32-20-18(28-10-11-29-20)15-30-12-8-22(24,9-13-30)19(31)14-16-6-4-5-7-17(16)23(25,26)27;1-21(2,3)29-20-18(25-10-11-26-20)15-27-12-8-22(24,9-13-27)19(28)14-16-6-4-5-7-17(16)23;1-22(2,3)28-21-14-24-13-18(25-21)15-26-10-8-16(9-11-26)20(27)12-17-6-4-5-7-19(17)23;1-21(2,3)27-20-13-23-12-17(24-20)14-25-10-8-16(9-11-25)15-26-19-7-5-4-6-18(19)22;1-21(2,3)27-20-18(23-9-10-24-20)15-25-11-6-17(7-12-25)19(26)13-16-5-4-8-22-14-16/h6-9,13-14,19H,10-12,15-17H2,1-5H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,10-11H,8-9,12-15H2,1-3H3;4-7,13-14,16H,8-12,15H2,1-3H3;4-7,12-13,16H,8-11,14-15H2,1-3H3;4-5,8-10,14,17H,6-7,11-13,15H2,1-3H3.

What are the key properties of 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone?

1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone has a molecular weight of 2415.94 g/mol, XLogP of 23.91, 38 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 160877737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).