bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

C211H239Cl2F2N19O20S — CID 159559429

IUPACbis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C(C)(F)F)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc12
InChIInChI=1S/C25H28F2N2O2.C24H28N2O4S.2C24H28N2O2.2C23H25ClN2O2.2C23H26N2O2.C22H25N3O2/c1-3-18-15-28-24(30)22-9-8-21(14-23(18)22)31-20-10-12-29(13-11-20)16-17-4-6-19(7-5-17)25(2,26)27;1-3-18-15-25-24(27)22-9-6-20(14-23(18)22)30-19-10-12-26(13-11-19)16-17-4-7-21(8-5-17)31(2,28)29;2*1-3-19-15-25-24(27)22-9-8-21(14-23(19)22)28-20-10-12-26(13-11-20)16-18-6-4-17(2)5-7-18;1-2-17-14-25-23(27)21-7-6-20(13-22(17)21)28-19-8-10-26(11-9-19)15-16-4-3-5-18(24)12-16;1-2-16-14-25-23(27)20-8-7-19(13-21(16)20)28-18-9-11-26(12-10-18)15-17-5-3-4-6-22(17)24;2*1-2-18-15-24-23(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;1-2-16-14-24-22(26)20-7-6-19(13-21(16)20)27-18-8-11-25(12-9-18)15-17-5-3-4-10-23-17/h4-9,14-15,20H,3,10-13,16H2,1-2H3,(H,28,30);4-9,14-15,19H,3,10-13,16H2,1-2H3,(H,25,27);2*4-9,14-15,20H,3,10-13,16H2,1-2H3,(H,25,27);3-7,12-14,19H,2,8-11,15H2,1H3,(H,25,27);3-8,13-14,18H,2,9-12,15H2,1H3,(H,25,27);2*3-9,14-15,19H,2,10-13,16H2,1H3,(H,24,26);3-7,10,13-14,18H,2,8-9,11-12,15H2,1H3,(H,24,26)
InChIKeyMGKKBYHRMNIIAL-UHFFFAOYSA-N
MW3502.31 g/mol
LogP39.04
Rot. Bonds47

About bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (PubChem CID 159559429) has the molecular formula C211H239Cl2F2N19O20S and a molecular weight of 3502.31 g/mol. Its IUPAC name is bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Namebis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
PubChem CID159559429
Molecular FormulaC211H239Cl2F2N19O20S
Molecular Weight3502.31 g/mol
Exact Mass3498.73
IUPAC Namebis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C(C)(F)F)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc12
InChIInChI=1S/C25H28F2N2O2.C24H28N2O4S.2C24H28N2O2.2C23H25ClN2O2.2C23H26N2O2.C22H25N3O2/c1-3-18-15-28-24(30)22-9-8-21(14-23(18)22)31-20-10-12-29(13-11-20)16-17-4-6-19(7-5-17)25(2,26)27;1-3-18-15-25-24(27)22-9-6-20(14-23(18)22)30-19-10-12-26(13-11-19)16-17-4-7-21(8-5-17)31(2,28)29;2*1-3-19-15-25-24(27)22-9-8-21(14-23(19)22)28-20-10-12-26(13-11-20)16-18-6-4-17(2)5-7-18;1-2-17-14-25-23(27)21-7-6-20(13-22(17)21)28-19-8-10-26(11-9-19)15-16-4-3-5-18(24)12-16;1-2-16-14-25-23(27)20-8-7-19(13-21(16)20)28-18-9-11-26(12-10-18)15-17-5-3-4-6-22(17)24;2*1-2-18-15-24-23(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;1-2-16-14-24-22(26)20-7-6-19(13-21(16)20)27-18-8-11-25(12-9-18)15-17-5-3-4-10-23-17/h4-9,14-15,20H,3,10-13,16H2,1-2H3,(H,28,30);4-9,14-15,19H,3,10-13,16H2,1-2H3,(H,25,27);2*4-9,14-15,20H,3,10-13,16H2,1-2H3,(H,25,27);3-7,12-14,19H,2,8-11,15H2,1H3,(H,25,27);3-8,13-14,18H,2,9-12,15H2,1H3,(H,25,27);2*3-9,14-15,19H,2,10-13,16H2,1H3,(H,24,26);3-7,10,13-14,18H,2,8-9,11-12,15H2,1H3,(H,24,26)
InChIKeyMGKKBYHRMNIIAL-UHFFFAOYSA-N
XLogP39.04
TPSA455.00 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds47
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003502.31
LogP ≤ 539.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one with MolForge

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Related Compounds

bis(6-(1-benzylpiperidin-4-yl)oxy-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;bis(6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 157733810
6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-5-fluoro-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 158994999
bis(6-(1-benzylpiperidin-4-yl)oxy-7-methyl-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;bis(7-methyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);7-methyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 159627575
6-(1-benzylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-6-[1-[[5-fluoro-2-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]methyl]piperidin-4-yl]oxy-4-methyl-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-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 160677755
6-(1-butylpiperidin-3-yl)oxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[1-(3-methylbutyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-[(4-methylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(2-methylpropyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;bis(6-(1-propylpiperidin-3-yl)oxy-2H-isoquinolin-1-one);6-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one
CID 160764108
4-chloro-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-ethyl-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-fluoro-5-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-fluoro-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-methoxy-5-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-methoxy-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-methyl-5-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;4-methyl-3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide;3-[(4-methylphenyl)sulfonylmethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 157132856
bis(6-(1-benzylpiperidin-3-yl)oxy-2H-isoquinolin-1-one);6-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;bis(6-[1-[(4-methylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one);6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(pyridin-3-ylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 160230466
2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;(2-chloro-4-propan-2-ylphenyl)-(4-ethylpiperazin-1-yl)methanone;(2-chloro-4-propan-2-ylphenyl)-piperazin-1-ylmethanone;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;2-methylsulfinyl-5-propan-2-ylpyridine;1-methylsulfonylethane
CID 160505519
bis(6-[(1-benzylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one);6-[[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-cyclohexylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methoxy]-2H-isoquinolin-1-one);6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one
CID 161160570
2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;1-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]-4-methylpiperazine;4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]morpholine;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;4-[2-(2-methoxy-4-propan-2-ylphenoxy)ethyl]morpholine;2-methylsulfinyl-5-propan-2-ylpyridine
CID 161441087
2-chloro-N,N-dimethyl-4-propan-2-ylbenzamide;(2-chloro-4-propan-2-ylphenyl)-(4-ethylpiperazin-1-yl)methanone;(2-chloro-4-propan-2-ylphenyl)-piperazin-1-ylmethanone;ethanesulfinate;4-(2-fluoro-4-propan-2-ylphenoxy)-1-methylpiperidine;2-methylsulfinyl-5-propan-2-ylpyridine
CID 162245688

Frequently Asked Questions

What is the IUPAC name of bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The IUPAC name of bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (CID 159559429) is bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C(C)(F)F)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(C)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(Cl)c4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc12.
What is the InChIKey of bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The InChIKey is MGKKBYHRMNIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O2.C24H28N2O4S.2C24H28N2O2.2C23H25ClN2O2.2C23H26N2O2.C22H25N3O2/c1-3-18-15-28-24(30)22-9-8-21(14-23(18)22)31-20-10-12-29(13-11-20)16-17-4-6-19(7-5-17)25(2,26)27;1-3-18-15-25-24(27)22-9-6-20(14-23(18)22)30-19-10-12-26(13-11-19)16-17-4-7-21(8-5-17)31(2,28)29;2*1-3-19-15-25-24(27)22-9-8-21(14-23(19)22)28-20-10-12-26(13-11-20)16-18-6-4-17(2)5-7-18;1-2-17-14-25-23(27)21-7-6-20(13-22(17)21)28-19-8-10-26(11-9-19)15-16-4-3-5-18(24)12-16;1-2-16-14-25-23(27)20-8-7-19(13-21(16)20)28-18-9-11-26(12-10-18)15-17-5-3-4-6-22(17)24;2*1-2-18-15-24-23(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;1-2-16-14-24-22(26)20-7-6-19(13-21(16)20)27-18-8-11-25(12-9-18)15-17-5-3-4-10-23-17/h4-9,14-15,20H,3,10-13,16H2,1-2H3,(H,28,30);4-9,14-15,19H,3,10-13,16H2,1-2H3,(H,25,27);2*4-9,14-15,20H,3,10-13,16H2,1-2H3,(H,25,27);3-7,12-14,19H,2,8-11,15H2,1H3,(H,25,27);3-8,13-14,18H,2,9-12,15H2,1H3,(H,25,27);2*3-9,14-15,19H,2,10-13,16H2,1H3,(H,24,26);3-7,10,13-14,18H,2,8-9,11-12,15H2,1H3,(H,24,26).
What are the key properties of bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one has a molecular weight of 3502.31 g/mol, XLogP of 39.04, 47 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-(1-benzylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one);6-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;bis(4-ethyl-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);4-ethyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 159559429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).