2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone

C117H157F4N15O10S — CID 159351027

IUPAC2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccsc2F)CC1.CC1(COc2ccccc2F)CCN(Cc2nccnc2OC(C)(C)C)CC1.C[C@@H]1C[C@H](C(=O)Cc2ccccc2F)CCN1Cc1nccnc1OC(C)(C)C.C[C@H]1C[C@H](C(=O)Cc2ccccc2F)CCN1Cc1nccnc1OC(C)(C)C
InChIInChI=1S/C29H41N3O2.2C23H30FN3O2.C22H30FN3O2.C20H26FN3O2S/c1-29(2,3)34-28-26(30-17-18-31-28)21-32-19-15-23(16-20-32)13-14-25-11-7-8-12-27(25)33-22-24-9-5-4-6-10-24;2*1-16-13-18(21(28)14-17-7-5-6-8-19(17)24)9-12-27(16)15-20-22(26-11-10-25-20)29-23(2,3)4;1-21(2,3)28-20-18(24-11-12-25-20)15-26-13-9-22(4,10-14-26)16-27-19-8-6-5-7-17(19)23;1-20(2,3)26-19-16(22-7-8-23-19)13-24-9-4-14(5-10-24)17(25)12-15-6-11-27-18(15)21/h7-8,11-14,17-18,23-24H,4-6,9-10,15-16,19-22H2,1-3H3;2*5-8,10-11,16,18H,9,12-15H2,1-4H3;5-8,11-12H,9-10,13-16H2,1-4H3;6-8,11,14H,4-5,9-10,12-13H2,1-3H3/b14-13+;;;;/t;16-,18+;16-,18-;;/m.01../s1
InChIKeyLHICPVXAEGJKFC-XQYOYDGYSA-N
MW2041.70 g/mol
LogP23.30
Rot. Bonds32

About 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone

2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone (PubChem CID 159351027) has the molecular formula C117H157F4N15O10S and a molecular weight of 2041.70 g/mol. Its IUPAC name is 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
PubChem CID159351027
Molecular FormulaC117H157F4N15O10S
Molecular Weight2041.70 g/mol
Exact Mass2040.19
IUPAC Name2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccsc2F)CC1.CC1(COc2ccccc2F)CCN(Cc2nccnc2OC(C)(C)C)CC1.C[C@@H]1C[C@H](C(=O)Cc2ccccc2F)CCN1Cc1nccnc1OC(C)(C)C.C[C@H]1C[C@H](C(=O)Cc2ccccc2F)CCN1Cc1nccnc1OC(C)(C)C
InChIInChI=1S/C29H41N3O2.2C23H30FN3O2.C22H30FN3O2.C20H26FN3O2S/c1-29(2,3)34-28-26(30-17-18-31-28)21-32-19-15-23(16-20-32)13-14-25-11-7-8-12-27(25)33-22-24-9-5-4-6-10-24;2*1-16-13-18(21(28)14-17-7-5-6-8-19(17)24)9-12-27(16)15-20-22(26-11-10-25-20)29-23(2,3)4;1-21(2,3)28-20-18(24-11-12-25-20)15-26-13-9-22(4,10-14-26)16-27-19-8-6-5-7-17(19)23;1-20(2,3)26-19-16(22-7-8-23-19)13-24-9-4-14(5-10-24)17(25)12-15-6-11-27-18(15)21/h7-8,11-14,17-18,23-24H,4-6,9-10,15-16,19-22H2,1-3H3;2*5-8,10-11,16,18H,9,12-15H2,1-4H3;5-8,11-12H,9-10,13-16H2,1-4H3;6-8,11,14H,4-5,9-10,12-13H2,1-3H3/b14-13+;;;;/t;16-,18+;16-,18-;;/m.01../s1
InChIKeyLHICPVXAEGJKFC-XQYOYDGYSA-N
XLogP23.30
TPSA260.92 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.70
LogP ≤ 523.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone (CID 159351027) is 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone is CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccsc2F)CC1.CC1(COc2ccccc2F)CCN(Cc2nccnc2OC(C)(C)C)CC1.C[C@@H]1C[C@H](C(=O)Cc2ccccc2F)CCN1Cc1nccnc1OC(C)(C)C.C[C@H]1C[C@H](C(=O)Cc2ccccc2F)CCN1Cc1nccnc1OC(C)(C)C.
What is the InChIKey of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
The InChIKey is LHICPVXAEGJKFC-XQYOYDGYSA-N. The full InChI is InChI=1S/C29H41N3O2.2C23H30FN3O2.C22H30FN3O2.C20H26FN3O2S/c1-29(2,3)34-28-26(30-17-18-31-28)21-32-19-15-23(16-20-32)13-14-25-11-7-8-12-27(25)33-22-24-9-5-4-6-10-24;2*1-16-13-18(21(28)14-17-7-5-6-8-19(17)24)9-12-27(16)15-20-22(26-11-10-25-20)29-23(2,3)4;1-21(2,3)28-20-18(24-11-12-25-20)15-26-13-9-22(4,10-14-26)16-27-19-8-6-5-7-17(19)23;1-20(2,3)26-19-16(22-7-8-23-19)13-24-9-4-14(5-10-24)17(25)12-15-6-11-27-18(15)21/h7-8,11-14,17-18,23-24H,4-6,9-10,15-16,19-22H2,1-3H3;2*5-8,10-11,16,18H,9,12-15H2,1-4H3;5-8,11-12H,9-10,13-16H2,1-4H3;6-8,11,14H,4-5,9-10,12-13H2,1-3H3/b14-13+;;;;/t;16-,18+;16-,18-;;/m.01../s1.
What are the key properties of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone has a molecular weight of 2041.70 g/mol, XLogP of 23.30, 32 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenoxy)methyl]-4-methylpiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[(2S,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorophenyl)-1-[(2R,4R)-2-methyl-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-(2-fluorothiophen-3-yl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 159351027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).