2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

C126H170ClF5N18O9S3 — CID 157130974

IUPAC2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2sccc2Cl)CC1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2sccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2sccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COCc2ccccc2F)CC1.CC(Oc1ccccc1F)C1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/3C22H30FN3O2.C20H26ClN3OS.C20H28FN3OS.C20H26FN3OS/c1-16(27-20-8-6-5-7-18(20)23)17-9-13-26(14-10-17)15-19-21(25-12-11-24-19)28-22(2,3)4;1-22(2,3)28-21-20(24-10-11-25-21)14-26-12-8-17(9-13-26)15-27-16-18-6-4-5-7-19(18)23;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23;3*1-20(2,3)25-19-17(22-9-10-23-19)14-24-11-6-15(7-12-24)4-5-18-16(21)8-13-26-18/h5-8,11-12,16-17H,9-10,13-15H2,1-4H3;4-7,10-11,17H,8-9,12-16H2,1-3H3;4-7,14-15,17H,8-13,16H2,1-3H3;4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3;8-10,13,15H,4-7,11-12,14H2,1-3H3;4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3/b;;;5-4+;;5-4+
InChIKeyAJBKYIGAZJHLCI-MXVJXOKYSA-N
MW2307.51 g/mol
LogP27.59
Rot. Bonds36

About 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine

2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (PubChem CID 157130974) has the molecular formula C126H170ClF5N18O9S3 and a molecular weight of 2307.51 g/mol. Its IUPAC name is 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.

Molecular Properties

Compound Name2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
PubChem CID157130974
Molecular FormulaC126H170ClF5N18O9S3
Molecular Weight2307.51 g/mol
Exact Mass2305.22
IUPAC Name2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine
SMILESCC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2sccc2Cl)CC1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2sccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2sccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COCc2ccccc2F)CC1.CC(Oc1ccccc1F)C1CCN(Cc2nccnc2OC(C)(C)C)CC1
InChIInChI=1S/3C22H30FN3O2.C20H26ClN3OS.C20H28FN3OS.C20H26FN3OS/c1-16(27-20-8-6-5-7-18(20)23)17-9-13-26(14-10-17)15-19-21(25-12-11-24-19)28-22(2,3)4;1-22(2,3)28-21-20(24-10-11-25-21)14-26-12-8-17(9-13-26)15-27-16-18-6-4-5-7-19(18)23;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23;3*1-20(2,3)25-19-17(22-9-10-23-19)14-24-11-6-15(7-12-24)4-5-18-16(21)8-13-26-18/h5-8,11-12,16-17H,9-10,13-15H2,1-4H3;4-7,10-11,17H,8-9,12-16H2,1-3H3;4-7,14-15,17H,8-13,16H2,1-3H3;4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3;8-10,13,15H,4-7,11-12,14H2,1-3H3;4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3/b;;;5-4+;;5-4+
InChIKeyAJBKYIGAZJHLCI-MXVJXOKYSA-N
XLogP27.59
TPSA257.19 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002307.51
LogP ≤ 527.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The IUPAC name of 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine (CID 157130974) is 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine.
What is the SMILES notation for 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The canonical SMILES for 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is CC(C)(C)Oc1cncc(CCN2CCC(COc3ccccc3F)CC2)n1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2sccc2Cl)CC1.CC(C)(C)Oc1nccnc1CN1CCC(/C=C/c2sccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(CCc2sccc2F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(COCc2ccccc2F)CC1.CC(Oc1ccccc1F)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
The InChIKey is AJBKYIGAZJHLCI-MXVJXOKYSA-N. The full InChI is InChI=1S/3C22H30FN3O2.C20H26ClN3OS.C20H28FN3OS.C20H26FN3OS/c1-16(27-20-8-6-5-7-18(20)23)17-9-13-26(14-10-17)15-19-21(25-12-11-24-19)28-22(2,3)4;1-22(2,3)28-21-20(24-10-11-25-21)14-26-12-8-17(9-13-26)15-27-16-18-6-4-5-7-19(18)23;1-22(2,3)28-21-15-24-14-18(25-21)10-13-26-11-8-17(9-12-26)16-27-20-7-5-4-6-19(20)23;3*1-20(2,3)25-19-17(22-9-10-23-19)14-24-11-6-15(7-12-24)4-5-18-16(21)8-13-26-18/h5-8,11-12,16-17H,9-10,13-15H2,1-4H3;4-7,10-11,17H,8-9,12-16H2,1-3H3;4-7,14-15,17H,8-13,16H2,1-3H3;4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3;8-10,13,15H,4-7,11-12,14H2,1-3H3;4-5,8-10,13,15H,6-7,11-12,14H2,1-3H3/b;;;5-4+;;5-4+.
What are the key properties of 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine?
2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine has a molecular weight of 2307.51 g/mol, XLogP of 27.59, 36 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(E)-2-(3-chlorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[1-(2-fluorophenoxy)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[2-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(E)-2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(3-fluorothiophen-2-yl)ethyl]piperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine is sourced from PubChem (CID 157130974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).