2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C123H155F5N18O12S3 — CID 157261622

IUPAC2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCOc1nccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)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.O=c1[nH]ccnc1CN1CCC(CS(=O)(=O)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CS(=O)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CSc2ccccc2F)CC1
InChIInChI=1S/C26H35N3O2.2C23H30FN3O2.C17H20FN3O3S.C17H20FN3O2S.C17H20FN3OS/c1-30-26-24(27-15-16-28-26)19-29-17-13-21(14-18-29)11-12-23-9-5-6-10-25(23)31-20-22-7-3-2-4-8-22;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;18-14-3-1-2-4-16(14)25(23,24)12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15;18-14-3-1-2-4-16(14)24(23)12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15;18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h5-6,9-12,15-16,21-22H,2-4,7-8,13-14,17-20H2,1H3;2*5-8,10-11,16,18H,9,12-15H2,1-4H3;1-4,7-8,13H,5-6,9-12H2,(H,20,22);1-4,7-8,13H,5-6,9-12H2,(H,20,22);1-4,7-8,13H,5-6,9-12H2,(H,20,22)/b12-11+;;;;;/t;16-,18+;16-,18-;;;/m.01.../s1
InChIKeyAXNMMIDNNNCWKC-YSBHFYOTSA-N
MW2268.90 g/mol
LogP20.22
Rot. Bonds35

About 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 157261622) has the molecular formula C123H155F5N18O12S3 and a molecular weight of 2268.90 g/mol. Its IUPAC name is 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID157261622
Molecular FormulaC123H155F5N18O12S3
Molecular Weight2268.90 g/mol
Exact Mass2267.12
IUPAC Name2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCOc1nccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)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.O=c1[nH]ccnc1CN1CCC(CS(=O)(=O)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CS(=O)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CSc2ccccc2F)CC1
InChIInChI=1S/C26H35N3O2.2C23H30FN3O2.C17H20FN3O3S.C17H20FN3O2S.C17H20FN3OS/c1-30-26-24(27-15-16-28-26)19-29-17-13-21(14-18-29)11-12-23-9-5-6-10-25(23)31-20-22-7-3-2-4-8-22;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;18-14-3-1-2-4-16(14)25(23,24)12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15;18-14-3-1-2-4-16(14)24(23)12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15;18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h5-6,9-12,15-16,21-22H,2-4,7-8,13-14,17-20H2,1H3;2*5-8,10-11,16,18H,9,12-15H2,1-4H3;1-4,7-8,13H,5-6,9-12H2,(H,20,22);1-4,7-8,13H,5-6,9-12H2,(H,20,22);1-4,7-8,13H,5-6,9-12H2,(H,20,22)/b12-11+;;;;;/t;16-,18+;16-,18-;;;/m.01.../s1
InChIKeyAXNMMIDNNNCWKC-YSBHFYOTSA-N
XLogP20.22
TPSA356.30 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002268.90
LogP ≤ 520.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 157261622) is 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is COc1nccnc1CN1CCC(/C=C/c2ccccc2OCC2CCCCC2)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.O=c1[nH]ccnc1CN1CCC(CS(=O)(=O)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CS(=O)c2ccccc2F)CC1.O=c1[nH]ccnc1CN1CCC(CSc2ccccc2F)CC1.
What is the InChIKey of 2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is AXNMMIDNNNCWKC-YSBHFYOTSA-N. The full InChI is InChI=1S/C26H35N3O2.2C23H30FN3O2.C17H20FN3O3S.C17H20FN3O2S.C17H20FN3OS/c1-30-26-24(27-15-16-28-26)19-29-17-13-21(14-18-29)11-12-23-9-5-6-10-25(23)31-20-22-7-3-2-4-8-22;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;18-14-3-1-2-4-16(14)25(23,24)12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15;18-14-3-1-2-4-16(14)24(23)12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15;18-14-3-1-2-4-16(14)23-12-13-5-9-21(10-6-13)11-15-17(22)20-8-7-19-15/h5-6,9-12,15-16,21-22H,2-4,7-8,13-14,17-20H2,1H3;2*5-8,10-11,16,18H,9,12-15H2,1-4H3;1-4,7-8,13H,5-6,9-12H2,(H,20,22);1-4,7-8,13H,5-6,9-12H2,(H,20,22);1-4,7-8,13H,5-6,9-12H2,(H,20,22)/b12-11+;;;;;/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-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
2-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-3-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 2268.90 g/mol, XLogP of 20.22, 35 rotatable bonds, 3 hydrogen bond donors, and 28 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-methoxypyrazine;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;3-[[4-[(2-fluorophenyl)sulfanylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfinylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[(2-fluorophenyl)sulfonylmethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 157261622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).