6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane

C183H243F11N18O18 — CID 158648121

IUPAC6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane
SMILESC.CCCN1CCC(Oc2cc3c(CC)c[nH]c(=O)c3cc2F)CC1.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)(F)F)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)C)CC3)cc12
InChIInChI=1S/C23H31FN2O2.C22H29FN2O2.C21H29FN2O2.C20H25F3N2O2.C20H25FN2O2.C20H27FN2O2.2C19H25FN2O2.C18H23FN2O2.CH4/c1-2-17-14-25-23(27)20-12-21(24)22(13-19(17)20)28-18-8-10-26(11-9-18)15-16-6-4-3-5-7-16;1-2-15-14-24-22(26)19-12-20(23)21(13-18(15)19)27-17-8-10-25(11-9-17)16-6-4-3-5-7-16;1-4-15-13-23-21(25)18-11-19(22)20(12-17(15)18)26-16-6-9-24(10-7-16)8-5-14(2)3;1-3-13-12-24-19(26)16-10-17(21)18(11-15(13)16)27-14-4-7-25(8-5-14)9-6-20(2,22)23;1-2-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13-3-4-13;1-4-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13(2)3;1-4-13-11-21-19(23)16-9-17(20)18(10-15(13)16)24-14-5-7-22(8-6-14)12(2)3;1-3-7-22-8-5-14(6-9-22)24-18-11-15-13(4-2)12-21-19(23)16(15)10-17(18)20;1-3-12-11-20-18(22)15-9-16(19)17(10-14(12)15)23-13-5-7-21(4-2)8-6-13;/h12-14,16,18H,2-11,15H2,1H3,(H,25,27);12-14,16-17H,2-11H2,1H3,(H,24,26);11-14,16H,4-10H2,1-3H3,(H,23,25);10-12,14H,3-9H2,1-2H3,(H,24,26);9-11,13,15H,2-8,12H2,1H3,(H,22,24);9-11,13,15H,4-8,12H2,1-3H3,(H,22,24);9-12,14H,4-8H2,1-3H3,(H,21,23);10-12,14H,3-9H2,1-2H3,(H,21,23);9-11,13H,3-8H2,1-2H3,(H,20,22);1H4
InChIKeyIBFGFBFHOBPWPP-UHFFFAOYSA-N
MW3192.04 g/mol
LogP35.20
Rot. Bonds44

About 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane

6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane (PubChem CID 158648121) has the molecular formula C183H243F11N18O18 and a molecular weight of 3192.04 g/mol. Its IUPAC name is 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane.

Molecular Properties

Compound Name6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane
PubChem CID158648121
Molecular FormulaC183H243F11N18O18
Molecular Weight3192.04 g/mol
Exact Mass3189.85
IUPAC Name6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane
SMILESC.CCCN1CCC(Oc2cc3c(CC)c[nH]c(=O)c3cc2F)CC1.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)(F)F)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)C)CC3)cc12
InChIInChI=1S/C23H31FN2O2.C22H29FN2O2.C21H29FN2O2.C20H25F3N2O2.C20H25FN2O2.C20H27FN2O2.2C19H25FN2O2.C18H23FN2O2.CH4/c1-2-17-14-25-23(27)20-12-21(24)22(13-19(17)20)28-18-8-10-26(11-9-18)15-16-6-4-3-5-7-16;1-2-15-14-24-22(26)19-12-20(23)21(13-18(15)19)27-17-8-10-25(11-9-17)16-6-4-3-5-7-16;1-4-15-13-23-21(25)18-11-19(22)20(12-17(15)18)26-16-6-9-24(10-7-16)8-5-14(2)3;1-3-13-12-24-19(26)16-10-17(21)18(11-15(13)16)27-14-4-7-25(8-5-14)9-6-20(2,22)23;1-2-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13-3-4-13;1-4-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13(2)3;1-4-13-11-21-19(23)16-9-17(20)18(10-15(13)16)24-14-5-7-22(8-6-14)12(2)3;1-3-7-22-8-5-14(6-9-22)24-18-11-15-13(4-2)12-21-19(23)16(15)10-17(18)20;1-3-12-11-20-18(22)15-9-16(19)17(10-14(12)15)23-13-5-7-21(4-2)8-6-13;/h12-14,16,18H,2-11,15H2,1H3,(H,25,27);12-14,16-17H,2-11H2,1H3,(H,24,26);11-14,16H,4-10H2,1-3H3,(H,23,25);10-12,14H,3-9H2,1-2H3,(H,24,26);9-11,13,15H,2-8,12H2,1H3,(H,22,24);9-11,13,15H,4-8,12H2,1-3H3,(H,22,24);9-12,14H,4-8H2,1-3H3,(H,21,23);10-12,14H,3-9H2,1-2H3,(H,21,23);9-11,13H,3-8H2,1-2H3,(H,20,22);1H4
InChIKeyIBFGFBFHOBPWPP-UHFFFAOYSA-N
XLogP35.20
TPSA407.97 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003192.04
LogP ≤ 535.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane with MolForge

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Launch Full Analysis

Related Compounds

6-(cyclohexylmethoxy)-2H-isoquinolin-1-one;6-cyclohexyloxy-4,7-dimethyl-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-2H-isoquinolin-1-one;6-cyclohexyloxy-4-methyl-7-(trifluoromethyl)-2H-isoquinolin-1-one;bis(6-[(2S)-2-methylpiperidin-4-yl]oxy-2H-isoquinolin-1-one)
CID 157133472
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]benzamide;4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-4-phenylmethoxybenzamide;N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 157494132
N-tert-butyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorobenzamide;N-(2,2-difluorocyclopropyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(2-hydroxyethyl)benzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 157570990
6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 158080012
N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 158241675
6-(1-butylpiperidin-4-yl)oxy-7-methyl-2H-isoquinolin-1-one;7-chloro-6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(2-cyclohexylethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;7-methyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 159789741
6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 159905707
[(9aS)-6-[2,3-dimethyl-4-[4-(methylamino)butoxy]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone;bis([(9aS)-6-(2,3-dimethyl-4-propoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone)
CID 160254658
bis(6-(1-benzylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;bis(4-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one)
CID 160391419
6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 160540996
4-(1-acetylpiperidin-4-yl)oxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-methylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-piperidin-4-yloxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 161417103
CID 161760062
CID 161760062

Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane?
The IUPAC name of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane (CID 158648121) is 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane.
What is the SMILES notation for 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane?
The canonical SMILES for 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane is C.CCCN1CCC(Oc2cc3c(CC)c[nH]c(=O)c3cc2F)CC1.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)(F)F)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)C)CC3)cc12.
What is the InChIKey of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane?
The InChIKey is IBFGFBFHOBPWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O2.C22H29FN2O2.C21H29FN2O2.C20H25F3N2O2.C20H25FN2O2.C20H27FN2O2.2C19H25FN2O2.C18H23FN2O2.CH4/c1-2-17-14-25-23(27)20-12-21(24)22(13-19(17)20)28-18-8-10-26(11-9-18)15-16-6-4-3-5-7-16;1-2-15-14-24-22(26)19-12-20(23)21(13-18(15)19)27-17-8-10-25(11-9-17)16-6-4-3-5-7-16;1-4-15-13-23-21(25)18-11-19(22)20(12-17(15)18)26-16-6-9-24(10-7-16)8-5-14(2)3;1-3-13-12-24-19(26)16-10-17(21)18(11-15(13)16)27-14-4-7-25(8-5-14)9-6-20(2,22)23;1-2-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13-3-4-13;1-4-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13(2)3;1-4-13-11-21-19(23)16-9-17(20)18(10-15(13)16)24-14-5-7-22(8-6-14)12(2)3;1-3-7-22-8-5-14(6-9-22)24-18-11-15-13(4-2)12-21-19(23)16(15)10-17(18)20;1-3-12-11-20-18(22)15-9-16(19)17(10-14(12)15)23-13-5-7-21(4-2)8-6-13;/h12-14,16,18H,2-11,15H2,1H3,(H,25,27);12-14,16-17H,2-11H2,1H3,(H,24,26);11-14,16H,4-10H2,1-3H3,(H,23,25);10-12,14H,3-9H2,1-2H3,(H,24,26);9-11,13,15H,2-8,12H2,1H3,(H,22,24);9-11,13,15H,4-8,12H2,1-3H3,(H,22,24);9-12,14H,4-8H2,1-3H3,(H,21,23);10-12,14H,3-9H2,1-2H3,(H,21,23);9-11,13H,3-8H2,1-2H3,(H,20,22);1H4.
What are the key properties of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane?
6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane has a molecular weight of 3192.04 g/mol, XLogP of 35.20, 44 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane is sourced from PubChem (CID 158648121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).