3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C115H132F4N20O16S — CID 159462970

IUPAC3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.COC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccsc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.NC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1c(F)cccc1C(F)(F)F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1-c1cccnc1)C1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C23H24N4O2.C19H19F4N3O2.C19H23N3O4.C19H23N3O3.C18H22N4O3.C17H21N3O2S/c28-22(14-18-4-1-2-6-20(18)19-5-3-9-24-15-19)17-7-12-27(13-8-17)16-21-23(29)26-11-10-25-21;20-15-3-1-2-14(19(21,22)23)13(15)10-17(27)12-4-8-26(9-5-12)11-16-18(28)25-7-6-24-16;1-25-19(24)15-4-2-3-5-17(15)26-13-14-6-10-22(11-7-14)12-16-18(23)21-9-8-20-16;1-14(23)16-4-2-3-5-18(16)25-13-15-6-10-22(11-7-15)12-17-19(24)21-9-8-20-17;19-17(23)14-3-1-2-4-16(14)25-12-13-5-9-22(10-6-13)11-15-18(24)21-8-7-20-15;1-12-4-9-23-16(12)10-15(21)13-2-7-20(8-3-13)11-14-17(22)19-6-5-18-14/h1-6,9-11,15,17H,7-8,12-14,16H2,(H,26,29);1-3,6-7,12H,4-5,8-11H2,(H,25,28);2-5,8-9,14H,6-7,10-13H2,1H3,(H,21,23);2-5,8-9,15H,6-7,10-13H2,1H3,(H,21,24);1-4,7-8,13H,5-6,9-12H2,(H2,19,23)(H,21,24);4-6,9,13H,2-3,7-8,10-11H2,1H3,(H,19,22)
InChIKeyLUUZBGYJCCYHFB-UHFFFAOYSA-N
MW2158.50 g/mol
LogP13.24
Rot. Bonds34

About 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 159462970) has the molecular formula C115H132F4N20O16S and a molecular weight of 2158.50 g/mol. Its IUPAC name is 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID159462970
Molecular FormulaC115H132F4N20O16S
Molecular Weight2158.50 g/mol
Exact Mass2156.98
IUPAC Name3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESCC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.COC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccsc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.NC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1c(F)cccc1C(F)(F)F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1-c1cccnc1)C1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C23H24N4O2.C19H19F4N3O2.C19H23N3O4.C19H23N3O3.C18H22N4O3.C17H21N3O2S/c28-22(14-18-4-1-2-6-20(18)19-5-3-9-24-15-19)17-7-12-27(13-8-17)16-21-23(29)26-11-10-25-21;20-15-3-1-2-14(19(21,22)23)13(15)10-17(27)12-4-8-26(9-5-12)11-16-18(28)25-7-6-24-16;1-25-19(24)15-4-2-3-5-17(15)26-13-14-6-10-22(11-7-14)12-16-18(23)21-9-8-20-16;1-14(23)16-4-2-3-5-18(16)25-13-15-6-10-22(11-7-15)12-17-19(24)21-9-8-20-17;19-17(23)14-3-1-2-4-16(14)25-12-13-5-9-22(10-6-13)11-15-18(24)21-8-7-20-15;1-12-4-9-23-16(12)10-15(21)13-2-7-20(8-3-13)11-14-17(22)19-6-5-18-14/h1-6,9-11,15,17H,7-8,12-14,16H2,(H,26,29);1-3,6-7,12H,4-5,8-11H2,(H,25,28);2-5,8-9,14H,6-7,10-13H2,1H3,(H,21,23);2-5,8-9,15H,6-7,10-13H2,1H3,(H,21,24);1-4,7-8,13H,5-6,9-12H2,(H2,19,23)(H,21,24);4-6,9,13H,2-3,7-8,10-11H2,1H3,(H,19,22)
InChIKeyLUUZBGYJCCYHFB-UHFFFAOYSA-N
XLogP13.24
TPSA472.19 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.50
LogP ≤ 513.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 159462970) is 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is CC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.COC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.Cc1ccsc1CC(=O)C1CCN(Cc2ncc[nH]c2=O)CC1.NC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1c(F)cccc1C(F)(F)F)C1CCN(Cc2ncc[nH]c2=O)CC1.O=C(Cc1ccccc1-c1cccnc1)C1CCN(Cc2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is LUUZBGYJCCYHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C19H19F4N3O2.C19H23N3O4.C19H23N3O3.C18H22N4O3.C17H21N3O2S/c28-22(14-18-4-1-2-6-20(18)19-5-3-9-24-15-19)17-7-12-27(13-8-17)16-21-23(29)26-11-10-25-21;20-15-3-1-2-14(19(21,22)23)13(15)10-17(27)12-4-8-26(9-5-12)11-16-18(28)25-7-6-24-16;1-25-19(24)15-4-2-3-5-17(15)26-13-14-6-10-22(11-7-14)12-16-18(23)21-9-8-20-16;1-14(23)16-4-2-3-5-18(16)25-13-15-6-10-22(11-7-15)12-17-19(24)21-9-8-20-17;19-17(23)14-3-1-2-4-16(14)25-12-13-5-9-22(10-6-13)11-15-18(24)21-8-7-20-15;1-12-4-9-23-16(12)10-15(21)13-2-7-20(8-3-13)11-14-17(22)19-6-5-18-14/h1-6,9-11,15,17H,7-8,12-14,16H2,(H,26,29);1-3,6-7,12H,4-5,8-11H2,(H,25,28);2-5,8-9,14H,6-7,10-13H2,1H3,(H,21,23);2-5,8-9,15H,6-7,10-13H2,1H3,(H,21,24);1-4,7-8,13H,5-6,9-12H2,(H2,19,23)(H,21,24);4-6,9,13H,2-3,7-8,10-11H2,1H3,(H,19,22).
What are the key properties of 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 2158.50 g/mol, XLogP of 13.24, 34 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-acetylphenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-fluoro-6-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate;3-[[4-[2-(3-methylthiophen-2-yl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzamide;3-[[4-[2-(2-pyridin-3-ylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 159462970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).