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

C153H204F2N16O16 — CID 160540996

IUPAC6-(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
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)cc12
InChIInChI=1S/C21H28N2O2.C20H28N2O2.C19H24F2N2O2.C19H24N2O2.2C19H26N2O2.2C18H24N2O2/c1-15-14-22-21(24)19-8-7-18(13-20(15)19)25-17-9-11-23(12-10-17)16-5-3-2-4-6-16;1-14(2)6-9-22-10-7-16(8-11-22)24-17-4-5-18-19(12-17)15(3)13-21-20(18)23;1-13-12-22-18(24)16-4-3-15(11-17(13)16)25-14-5-8-23(9-6-14)10-7-19(2,20)21;1-13-11-20-19(22)17-5-4-16(10-18(13)17)23-15-6-8-21(9-7-15)12-14-2-3-14;1-13(2)12-21-8-6-15(7-9-21)23-16-4-5-17-18(10-16)14(3)11-20-19(17)22;1-3-4-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(2)13-20-19(17)22;1-12(2)20-8-6-14(7-9-20)22-15-4-5-16-17(10-15)13(3)11-19-18(16)21;1-3-8-20-9-6-14(7-10-20)22-15-4-5-16-17(11-15)13(2)12-19-18(16)21/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,22,24);4-5,12-14,16H,6-11H2,1-3H3,(H,21,23);3-4,11-12,14H,5-10H2,1-2H3,(H,22,24);4-5,10-11,14-15H,2-3,6-9,12H2,1H3,(H,20,22);4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,20,22);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22);4-5,10-12,14H,6-9H2,1-3H3,(H,19,21);4-5,11-12,14H,3,6-10H2,1-2H3,(H,19,21)
InChIKeyQWTXTEZVJKRYLE-UHFFFAOYSA-N
MW2561.41 g/mol
LogP27.55
Rot. Bonds33

About 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

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 (PubChem CID 160540996) has the molecular formula C153H204F2N16O16 and a molecular weight of 2561.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160540996
Molecular FormulaC153H204F2N16O16
Molecular Weight2561.41 g/mol
Exact Mass2559.56
IUPAC Name6-(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
SMILESCCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)cc12
InChIInChI=1S/C21H28N2O2.C20H28N2O2.C19H24F2N2O2.C19H24N2O2.2C19H26N2O2.2C18H24N2O2/c1-15-14-22-21(24)19-8-7-18(13-20(15)19)25-17-9-11-23(12-10-17)16-5-3-2-4-6-16;1-14(2)6-9-22-10-7-16(8-11-22)24-17-4-5-18-19(12-17)15(3)13-21-20(18)23;1-13-12-22-18(24)16-4-3-15(11-17(13)16)25-14-5-8-23(9-6-14)10-7-19(2,20)21;1-13-11-20-19(22)17-5-4-16(10-18(13)17)23-15-6-8-21(9-7-15)12-14-2-3-14;1-13(2)12-21-8-6-15(7-9-21)23-16-4-5-17-18(10-16)14(3)11-20-19(17)22;1-3-4-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(2)13-20-19(17)22;1-12(2)20-8-6-14(7-9-20)22-15-4-5-16-17(10-15)13(3)11-19-18(16)21;1-3-8-20-9-6-14(7-10-20)22-15-4-5-16-17(11-15)13(2)12-19-18(16)21/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,22,24);4-5,12-14,16H,6-11H2,1-3H3,(H,21,23);3-4,11-12,14H,5-10H2,1-2H3,(H,22,24);4-5,10-11,14-15H,2-3,6-9,12H2,1H3,(H,20,22);4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,20,22);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22);4-5,10-12,14H,6-9H2,1-3H3,(H,19,21);4-5,11-12,14H,3,6-10H2,1-2H3,(H,19,21)
InChIKeyQWTXTEZVJKRYLE-UHFFFAOYSA-N
XLogP27.55
TPSA362.64 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002561.41
LogP ≤ 527.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 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 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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.CCCN1CCC(Oc2ccc3c(=O)[nH]cc(C)c3c2)CC1.Cc1c[nH]c(=O)c2ccc(OC3CCN(C(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(C4CCCCC4)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC(C)C)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CC4CC4)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)(F)F)CC3)cc12.Cc1c[nH]c(=O)c2ccc(OC3CCN(CCC(C)C)CC3)cc12.
What is the InChIKey of 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?
The InChIKey is QWTXTEZVJKRYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.C20H28N2O2.C19H24F2N2O2.C19H24N2O2.2C19H26N2O2.2C18H24N2O2/c1-15-14-22-21(24)19-8-7-18(13-20(15)19)25-17-9-11-23(12-10-17)16-5-3-2-4-6-16;1-14(2)6-9-22-10-7-16(8-11-22)24-17-4-5-18-19(12-17)15(3)13-21-20(18)23;1-13-12-22-18(24)16-4-3-15(11-17(13)16)25-14-5-8-23(9-6-14)10-7-19(2,20)21;1-13-11-20-19(22)17-5-4-16(10-18(13)17)23-15-6-8-21(9-7-15)12-14-2-3-14;1-13(2)12-21-8-6-15(7-9-21)23-16-4-5-17-18(10-16)14(3)11-20-19(17)22;1-3-4-9-21-10-7-15(8-11-21)23-16-5-6-17-18(12-16)14(2)13-20-19(17)22;1-12(2)20-8-6-14(7-9-20)22-15-4-5-16-17(10-15)13(3)11-19-18(16)21;1-3-8-20-9-6-14(7-10-20)22-15-4-5-16-17(11-15)13(2)12-19-18(16)21/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,22,24);4-5,12-14,16H,6-11H2,1-3H3,(H,21,23);3-4,11-12,14H,5-10H2,1-2H3,(H,22,24);4-5,10-11,14-15H,2-3,6-9,12H2,1H3,(H,20,22);4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,20,22);5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,20,22);4-5,10-12,14H,6-9H2,1-3H3,(H,19,21);4-5,11-12,14H,3,6-10H2,1-2H3,(H,19,21).
What are the key properties of 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?
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 has a molecular weight of 2561.41 g/mol, XLogP of 27.55, 33 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-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 is sourced from PubChem (CID 160540996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).