2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

C136H177F7N20O16 — CID 162065781

IUPAC2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2OC(F)(F)F)CC1.CCCOc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.CCOc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.COc1nccnc1C(C)N1CCC(COc2ccccc2F)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3nccnc3OC(C)(C)C)CC1)C(=O)O2
InChIInChI=1S/C25H35N3O3.C24H33N3O3.C23H28F3N3O3.C23H28F3N3O2.C22H29N5O3.C19H24FN3O2/c1-5-16-30-23-9-7-6-8-20(23)17-22(29)19-10-14-28(15-11-19)18-21-24(27-13-12-26-21)31-25(2,3)4;1-5-29-22-9-7-6-8-19(22)16-21(28)18-10-14-27(15-11-18)17-20-23(26-13-12-25-20)30-24(2,3)4;1-22(2,3)32-21-18(27-10-11-28-21)15-29-12-8-16(9-13-29)19(30)14-17-6-4-5-7-20(17)31-23(24,25)26;1-22(2,3)31-21-19(27-10-11-28-21)15-29-12-8-16(9-13-29)20(30)14-17-6-4-5-7-18(17)23(24,25)26;1-15-5-6-19-17(25-15)14-27(21(28)29-19)16-7-11-26(12-8-16)13-18-20(24-10-9-23-18)30-22(2,3)4;1-14(18-19(24-2)22-10-9-21-18)23-11-7-15(8-12-23)13-25-17-6-4-3-5-16(17)20/h6-9,12-13,19H,5,10-11,14-18H2,1-4H3;6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;5-6,9-10,16H,7-8,11-14H2,1-4H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyZAKZMVNQPXNUPM-UHFFFAOYSA-N
MW2481.02 g/mol
LogP24.63
Rot. Bonds40

About 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 162065781) has the molecular formula C136H177F7N20O16 and a molecular weight of 2481.02 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID162065781
Molecular FormulaC136H177F7N20O16
Molecular Weight2481.02 g/mol
Exact Mass2479.35
IUPAC Name2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2OC(F)(F)F)CC1.CCCOc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.CCOc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.COc1nccnc1C(C)N1CCC(COc2ccccc2F)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3nccnc3OC(C)(C)C)CC1)C(=O)O2
InChIInChI=1S/C25H35N3O3.C24H33N3O3.C23H28F3N3O3.C23H28F3N3O2.C22H29N5O3.C19H24FN3O2/c1-5-16-30-23-9-7-6-8-20(23)17-22(29)19-10-14-28(15-11-19)18-21-24(27-13-12-26-21)31-25(2,3)4;1-5-29-22-9-7-6-8-19(22)16-21(28)18-10-14-27(15-11-18)17-20-23(26-13-12-25-20)30-24(2,3)4;1-22(2,3)32-21-18(27-10-11-28-21)15-29-12-8-16(9-13-29)19(30)14-17-6-4-5-7-20(17)31-23(24,25)26;1-22(2,3)31-21-19(27-10-11-28-21)15-29-12-8-16(9-13-29)20(30)14-17-6-4-5-7-18(17)23(24,25)26;1-15-5-6-19-17(25-15)14-27(21(28)29-19)16-7-11-26(12-8-16)13-18-20(24-10-9-23-18)30-22(2,3)4;1-14(18-19(24-2)22-10-9-21-18)23-11-7-15(8-12-23)13-25-17-6-4-3-5-16(17)20/h6-9,12-13,19H,5,10-11,14-18H2,1-4H3;6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;5-6,9-10,16H,7-8,11-14H2,1-4H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyZAKZMVNQPXNUPM-UHFFFAOYSA-N
XLogP24.63
TPSA377.13 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.02
LogP ≤ 524.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[(3R,4R)-3-[(2-fluorophenoxy)methyl]-4-hydroxypiperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[1-[4-[2-(2-fluorophenyl)acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one;3-[[4-[2-(2-fluorophenyl)propanoyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 157068727
4-[2-[6-(2,6-dimethylphenyl)-3-fluoro-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-(2,6-dimethylphenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(2,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[5-(4,6-dimethyl-3-pyridinyl)-2-fluorophenyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one;4-[2-[3-fluoro-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3,4-dihydro-2H-chromen-6-yl]hept-5-yn-2-one
CID 157267525
1-[7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-one;1-[7-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]-1,5-naphthyridin-3-yl]propan-2-one
CID 158827821
2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-methylsulfanylphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 158860707
1-[4-Fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone;1-[4-fluoro-1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;2-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-6-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[2-(2-fluorophenyl)ethyl]-3,3-dimethoxypiperidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-(2-fluorophenyl)-1-[1-[[6-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-pyridin-3-ylethanone
CID 160877737
2-[1-[4-[(2-ethoxyphenoxy)methyl]piperidin-1-yl]ethyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;2-[(2-methylpropan-2-yl)oxy]-3-[1-[4-[(2-propoxyphenoxy)methyl]piperidin-1-yl]ethyl]pyrazine;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 161476390
3-[[4-[2-(2-ethoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;6-methyl-3-[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;3-[[4-[2-(2-methylsulfanylphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-(2-propoxyphenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethoxy)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one;3-[[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 161670712
(10Z)-10-chromeno[3,2-b]pyridin-10-ylidenechromeno[3,2-b]pyridine;(10E)-10-chromeno[3,2-b]pyridin-10-ylidenechromeno[3,2-b]pyridine;(10Z)-10-chromeno[3,2-b]pyridin-10-ylidene-1-methylchromeno[3,2-b]pyridin-1-ium;(10E)-10-chromeno[3,2-b]pyridin-10-ylidene-1-methylchromeno[3,2-b]pyridin-1-ium;bis(2,2,2-trifluoroacetate)
CID 161829651
tert-butyl 1-butan-2-yl-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 7-methoxy-6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-3-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl 6-[(3-methoxy-6-methyl-2-pyridinyl)methoxy]-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate;tert-butyl (1S)-6-[(3-methoxy-2-pyridinyl)methoxy]-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 162248049
carbon dioxide;(4S)-1-(4-ethylphenyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one;(4S)-1-[4-(1-hydroxypropan-2-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one;(4S)-1-[4-(2-hydroxypropan-2-yl)phenyl]-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one;(4S)-1-(4-prop-1-en-2-ylphenyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pentan-2-one
CID 163438175
[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-2-fluoro-4-(2-methoxy-4-pyridinyl)benzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 5-[[di(propan-2-yl)amino]methyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylbenzoate;[3-[(1R,2S)-1-cyclopropyl-2-methyl-3-oxobutyl]phenyl] 4-(5-fluoro-2-methoxy-4-pyridinyl)benzoate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 4-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate;[3-[(1S)-1-cyclopropyl-3-oxobutyl]phenyl] 5-(5-fluoro-2-methoxy-4-pyridinyl)pyrazine-2-carboxylate
CID 164948425
tert-butyl 3-[2-(2-ethoxy-3-pyridinyl)-6-oxo-1'-[5-propoxy-4-(trifluoromethyl)-3-pyridinyl]spiro[8H-1,7-naphthyridine-5,4'-piperidine]-7-yl]pyrrolidine-1-carboxylate
CID 172282853

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (CID 162065781) is 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2C(F)(F)F)CC1.CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2ccccc2OC(F)(F)F)CC1.CCCOc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.CCOc1ccccc1CC(=O)C1CCN(Cc2nccnc2OC(C)(C)C)CC1.COc1nccnc1C(C)N1CCC(COc2ccccc2F)CC1.Cc1ccc2c(n1)CN(C1CCN(Cc3nccnc3OC(C)(C)C)CC1)C(=O)O2.
What is the InChIKey of 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is ZAKZMVNQPXNUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3.C24H33N3O3.C23H28F3N3O3.C23H28F3N3O2.C22H29N5O3.C19H24FN3O2/c1-5-16-30-23-9-7-6-8-20(23)17-22(29)19-10-14-28(15-11-19)18-21-24(27-13-12-26-21)31-25(2,3)4;1-5-29-22-9-7-6-8-19(22)16-21(28)18-10-14-27(15-11-18)17-20-23(26-13-12-25-20)30-24(2,3)4;1-22(2,3)32-21-18(27-10-11-28-21)15-29-12-8-16(9-13-29)19(30)14-17-6-4-5-7-20(17)31-23(24,25)26;1-22(2,3)31-21-19(27-10-11-28-21)15-29-12-8-16(9-13-29)20(30)14-17-6-4-5-7-18(17)23(24,25)26;1-15-5-6-19-17(25-15)14-27(21(28)29-19)16-7-11-26(12-8-16)13-18-20(24-10-9-23-18)30-22(2,3)4;1-14(18-19(24-2)22-10-9-21-18)23-11-7-15(8-12-23)13-25-17-6-4-3-5-16(17)20/h6-9,12-13,19H,5,10-11,14-18H2,1-4H3;6-9,12-13,18H,5,10-11,14-17H2,1-4H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;4-7,10-11,16H,8-9,12-15H2,1-3H3;5-6,9-10,16H,7-8,11-14H2,1-4H3;3-6,9-10,14-15H,7-8,11-13H2,1-2H3.
What are the key properties of 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 2481.02 g/mol, XLogP of 24.63, 40 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone;2-[1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethyl]-3-methoxypyrazine;6-methyl-3-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-4H-pyrido[2,3-e][1,3]oxazin-2-one;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-(2-propoxyphenyl)ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone;1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 162065781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).