2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone

C117H150F4N16O13S — CID 161479055

IUPAC2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2c(F)cccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2cccnc2)CC1.COC(=O)c1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccsc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C27H32N4O2.C23H27F4N3O2.C23H31N3O4.C23H31N3O3.C21H29N3O2S/c1-27(2,3)33-26-24(29-13-14-30-26)19-31-15-10-20(11-16-31)25(32)17-21-7-4-5-9-23(21)22-8-6-12-28-18-22;1-22(2,3)32-21-19(28-9-10-29-21)14-30-11-7-15(8-12-30)20(31)13-16-17(23(25,26)27)5-4-6-18(16)24;1-23(2,3)30-21-19(24-11-12-25-21)15-26-13-9-17(10-14-26)16-29-20-8-6-5-7-18(20)22(27)28-4;1-17(27)19-7-5-6-8-21(19)28-16-18-9-13-26(14-10-18)15-20-22(25-12-11-24-20)29-23(2,3)4;1-15-7-12-27-19(15)13-18(25)16-5-10-24(11-6-16)14-17-20(23-9-8-22-17)26-21(2,3)4/h4-9,12-14,18,20H,10-11,15-17,19H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;5-8,11-12,17H,9-10,13-16H2,1-4H3;5-8,11-12,18H,9-10,13-16H2,1-4H3;7-9,12,16H,5-6,10-11,13-14H2,1-4H3
InChIKeyWECLBMIGJHEGGH-UHFFFAOYSA-N
MW2096.64 g/mol
LogP21.50
Rot. Bonds33

About 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone

2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone (PubChem CID 161479055) has the molecular formula C117H150F4N16O13S and a molecular weight of 2096.64 g/mol. Its IUPAC name is 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone
PubChem CID161479055
Molecular FormulaC117H150F4N16O13S
Molecular Weight2096.64 g/mol
Exact Mass2095.12
IUPAC Name2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone
SMILESCC(=O)c1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2c(F)cccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2cccnc2)CC1.COC(=O)c1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccsc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/C27H32N4O2.C23H27F4N3O2.C23H31N3O4.C23H31N3O3.C21H29N3O2S/c1-27(2,3)33-26-24(29-13-14-30-26)19-31-15-10-20(11-16-31)25(32)17-21-7-4-5-9-23(21)22-8-6-12-28-18-22;1-22(2,3)32-21-19(28-9-10-29-21)14-30-11-7-15(8-12-30)20(31)13-16-17(23(25,26)27)5-4-6-18(16)24;1-23(2,3)30-21-19(24-11-12-25-21)15-26-13-9-17(10-14-26)16-29-20-8-6-5-7-18(20)22(27)28-4;1-17(27)19-7-5-6-8-21(19)28-16-18-9-13-26(14-10-18)15-20-22(25-12-11-24-20)29-23(2,3)4;1-15-7-12-27-19(15)13-18(25)16-5-10-24(11-6-16)14-17-20(23-9-8-22-17)26-21(2,3)4/h4-9,12-14,18,20H,10-11,15-17,19H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;5-8,11-12,17H,9-10,13-16H2,1-4H3;5-8,11-12,18H,9-10,13-16H2,1-4H3;7-9,12,16H,5-6,10-11,13-14H2,1-4H3
InChIKeyWECLBMIGJHEGGH-UHFFFAOYSA-N
XLogP21.50
TPSA317.18 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002096.64
LogP ≤ 521.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone?
The IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone (CID 161479055) is 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone.
What is the SMILES notation for 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone?
The canonical SMILES for 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone is CC(=O)c1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2c(F)cccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2-c2cccnc2)CC1.COC(=O)c1ccccc1OCC1CCN(Cc2nccnc2OC(C)(C)C)CC1.Cc1ccsc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone?
The InChIKey is WECLBMIGJHEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C23H27F4N3O2.C23H31N3O4.C23H31N3O3.C21H29N3O2S/c1-27(2,3)33-26-24(29-13-14-30-26)19-31-15-10-20(11-16-31)25(32)17-21-7-4-5-9-23(21)22-8-6-12-28-18-22;1-22(2,3)32-21-19(28-9-10-29-21)14-30-11-7-15(8-12-30)20(31)13-16-17(23(25,26)27)5-4-6-18(16)24;1-23(2,3)30-21-19(24-11-12-25-21)15-26-13-9-17(10-14-26)16-29-20-8-6-5-7-18(20)22(27)28-4;1-17(27)19-7-5-6-8-21(19)28-16-18-9-13-26(14-10-18)15-20-22(25-12-11-24-20)29-23(2,3)4;1-15-7-12-27-19(15)13-18(25)16-5-10-24(11-6-16)14-17-20(23-9-8-22-17)26-21(2,3)4/h4-9,12-14,18,20H,10-11,15-17,19H2,1-3H3;4-6,9-10,15H,7-8,11-14H2,1-3H3;5-8,11-12,17H,9-10,13-16H2,1-4H3;5-8,11-12,18H,9-10,13-16H2,1-4H3;7-9,12,16H,5-6,10-11,13-14H2,1-4H3.
What are the key properties of 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone?
2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone has a molecular weight of 2096.64 g/mol, XLogP of 21.50, 33 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(trifluoromethyl)phenyl]-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;methyl 2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]benzoate;1-[2-[[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]methoxy]phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(3-methylthiophen-2-yl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-pyridin-3-ylphenyl)ethanone is sourced from PubChem (CID 161479055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).