6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one

C165H226F2N16O16 — CID 162145122

IUPAC6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(CC)c3c2)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(CC)c3c2)CC1.CCc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)cc12
InChIInChI=1S/C23H32N2O2.C22H30N2O2.C21H30N2O2.C20H26F2N2O2.C20H26N2O2.2C20H28N2O2.C19H26N2O2/c1-2-18-15-24-23(26)21-9-8-20(14-22(18)21)27-19-10-12-25(13-11-19)16-17-6-4-3-5-7-17;1-2-16-15-23-22(25)20-9-8-19(14-21(16)20)26-18-10-12-24(13-11-18)17-6-4-3-5-7-17;1-4-16-14-22-21(24)19-6-5-18(13-20(16)19)25-17-8-11-23(12-9-17)10-7-15(2)3;1-3-14-13-23-19(25)17-5-4-16(12-18(14)17)26-15-6-9-24(10-7-15)11-8-20(2,21)22;1-2-15-12-21-20(23)18-6-5-17(11-19(15)18)24-16-7-9-22(10-8-16)13-14-3-4-14;1-4-15-12-21-20(23)18-6-5-17(11-19(15)18)24-16-7-9-22(10-8-16)13-14(2)3;1-3-5-10-22-11-8-16(9-12-22)24-17-6-7-18-19(13-17)15(4-2)14-21-20(18)23;1-3-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(4-2)13-20-19(17)22/h8-9,14-15,17,19H,2-7,10-13,16H2,1H3,(H,24,26);8-9,14-15,17-18H,2-7,10-13H2,1H3,(H,23,25);5-6,13-15,17H,4,7-12H2,1-3H3,(H,22,24);4-5,12-13,15H,3,6-11H2,1-2H3,(H,23,25);5-6,11-12,14,16H,2-4,7-10,13H2,1H3,(H,21,23);5-6,11-12,14,16H,4,7-10,13H2,1-3H3,(H,21,23);6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,21,23);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22)
InChIKeyZKLJNIVVJBDQDF-UHFFFAOYSA-N
MW2727.71 g/mol
LogP30.75
Rot. Bonds42

About 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one

6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one (PubChem CID 162145122) has the molecular formula C165H226F2N16O16 and a molecular weight of 2727.71 g/mol. Its IUPAC name is 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
PubChem CID162145122
Molecular FormulaC165H226F2N16O16
Molecular Weight2727.71 g/mol
Exact Mass2725.73
IUPAC Name6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(CC)c3c2)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(CC)c3c2)CC1.CCc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)cc12
InChIInChI=1S/C23H32N2O2.C22H30N2O2.C21H30N2O2.C20H26F2N2O2.C20H26N2O2.2C20H28N2O2.C19H26N2O2/c1-2-18-15-24-23(26)21-9-8-20(14-22(18)21)27-19-10-12-25(13-11-19)16-17-6-4-3-5-7-17;1-2-16-15-23-22(25)20-9-8-19(14-21(16)20)26-18-10-12-24(13-11-18)17-6-4-3-5-7-17;1-4-16-14-22-21(24)19-6-5-18(13-20(16)19)25-17-8-11-23(12-9-17)10-7-15(2)3;1-3-14-13-23-19(25)17-5-4-16(12-18(14)17)26-15-6-9-24(10-7-15)11-8-20(2,21)22;1-2-15-12-21-20(23)18-6-5-17(11-19(15)18)24-16-7-9-22(10-8-16)13-14-3-4-14;1-4-15-12-21-20(23)18-6-5-17(11-19(15)18)24-16-7-9-22(10-8-16)13-14(2)3;1-3-5-10-22-11-8-16(9-12-22)24-17-6-7-18-19(13-17)15(4-2)14-21-20(18)23;1-3-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(4-2)13-20-19(17)22/h8-9,14-15,17,19H,2-7,10-13,16H2,1H3,(H,24,26);8-9,14-15,17-18H,2-7,10-13H2,1H3,(H,23,25);5-6,13-15,17H,4,7-12H2,1-3H3,(H,22,24);4-5,12-13,15H,3,6-11H2,1-2H3,(H,23,25);5-6,11-12,14,16H,2-4,7-10,13H2,1H3,(H,21,23);5-6,11-12,14,16H,4,7-10,13H2,1-3H3,(H,21,23);6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,21,23);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22)
InChIKeyZKLJNIVVJBDQDF-UHFFFAOYSA-N
XLogP30.75
TPSA362.64 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002727.71
LogP ≤ 530.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

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

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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-(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
N-(1-benzylpiperidin-4-yl)-4-butoxy-3,5-dimethylbenzamide;4-butoxy-N-[[1-(dimethylamino)-4,4-difluorocyclohexyl]methyl]-3,5-dimethylbenzamide;3,5-dimethyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[[4-(4-methylpiperazin-1-yl)oxan-4-yl]methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-[(4-morpholin-4-yloxan-4-yl)methyl]-4-phenylmethoxybenzamide;3,5-dimethyl-N-(2-morpholin-4-yl-1-phenylethyl)-4-phenylmethoxybenzamide
CID 158658952
(2S)-1-(4-benzylpiperazin-1-yl)-2-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]-3-phenylpropan-1-one;(2S)-1-(4-benzylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;4-[3-(dimethylamino)propoxy]benzaldehyde
CID 159206304
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

Frequently Asked Questions

What is the IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one (CID 162145122) is 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one is CCCCN1CCC(Oc2ccc3c(=O)[nH]cc(CC)c3c2)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(CC)c3c2)CC1.CCc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)cc12.
What is the InChIKey of 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
The InChIKey is ZKLJNIVVJBDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.C22H30N2O2.C21H30N2O2.C20H26F2N2O2.C20H26N2O2.2C20H28N2O2.C19H26N2O2/c1-2-18-15-24-23(26)21-9-8-20(14-22(18)21)27-19-10-12-25(13-11-19)16-17-6-4-3-5-7-17;1-2-16-15-23-22(25)20-9-8-19(14-21(16)20)26-18-10-12-24(13-11-18)17-6-4-3-5-7-17;1-4-16-14-22-21(24)19-6-5-18(13-20(16)19)25-17-8-11-23(12-9-17)10-7-15(2)3;1-3-14-13-23-19(25)17-5-4-16(12-18(14)17)26-15-6-9-24(10-7-15)11-8-20(2,21)22;1-2-15-12-21-20(23)18-6-5-17(11-19(15)18)24-16-7-9-22(10-8-16)13-14-3-4-14;1-4-15-12-21-20(23)18-6-5-17(11-19(15)18)24-16-7-9-22(10-8-16)13-14(2)3;1-3-5-10-22-11-8-16(9-12-22)24-17-6-7-18-19(13-17)15(4-2)14-21-20(18)23;1-3-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(4-2)13-20-19(17)22/h8-9,14-15,17,19H,2-7,10-13,16H2,1H3,(H,24,26);8-9,14-15,17-18H,2-7,10-13H2,1H3,(H,23,25);5-6,13-15,17H,4,7-12H2,1-3H3,(H,22,24);4-5,12-13,15H,3,6-11H2,1-2H3,(H,23,25);5-6,11-12,14,16H,2-4,7-10,13H2,1H3,(H,21,23);5-6,11-12,14,16H,4,7-10,13H2,1-3H3,(H,21,23);6-7,13-14,16H,3-5,8-12H2,1-2H3,(H,21,23);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22).
What are the key properties of 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one has a molecular weight of 2727.71 g/mol, XLogP of 30.75, 42 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 162145122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).