6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

C229H254F3N25O26S3 — CID 162197319

IUPAC6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2=NCc3ccccc32)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cc(F)cc(S(C)(=O)=O)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(=O)(=O)C(C)(F)F)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc3ccccc3c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc3ccccc23)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccn2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccn(C)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccn(C)n2)CC1
InChIInChI=1S/2C26H26N2O2.C24H26F2N2O4S.C24H25N3O2.C23H25FN2O4S.C23H26N2O4S.C21H25N3O2.C21H23N3O2.C21H28N2O2.C20H24N4O2/c1-18-15-24-20(9-12-27-26(24)29)16-25(18)30-22-10-13-28(14-11-22)17-21-7-4-6-19-5-2-3-8-23(19)21;1-18-14-24-22(8-11-27-26(24)29)16-25(18)30-23-9-12-28(13-10-23)17-19-6-7-20-4-2-3-5-21(20)15-19;1-16-13-21-18(7-10-27-23(21)29)14-22(16)32-19-8-11-28(12-9-19)15-17-3-5-20(6-4-17)33(30,31)24(2,25)26;1-16-12-21-17(6-9-25-24(21)28)13-23(16)29-19-7-10-27(11-8-19)15-22-20-5-3-2-4-18(20)14-26-22;1-15-9-21-17(3-6-25-23(21)27)12-22(15)30-19-4-7-26(8-5-19)14-16-10-18(24)13-20(11-16)31(2,28)29;1-16-13-21-18(7-10-24-23(21)26)14-22(16)29-19-8-11-25(12-9-19)15-17-3-5-20(6-4-17)30(2,27)28;1-15-11-19-17(3-7-22-21(19)25)12-20(15)26-18-5-9-24(10-6-18)14-16-4-8-23(2)13-16;1-15-12-19-16(5-9-23-21(19)25)13-20(15)26-18-6-10-24(11-7-18)14-17-4-2-3-8-22-17;1-15-12-19-17(6-9-22-21(19)24)13-20(15)25-18-7-10-23(11-8-18)14-16-4-2-3-5-16;1-14-11-18-15(3-7-21-20(18)25)12-19(14)26-17-5-9-24(10-6-17)13-16-4-8-23(2)22-16/h2-9,12,15-16,22H,10-11,13-14,17H2,1H3,(H,27,29);2-8,11,14-16,23H,9-10,12-13,17H2,1H3,(H,27,29);3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,27,29);2-6,9,12-13,19H,7-8,10-11,14-15H2,1H3,(H,25,28);3,6,9-13,19H,4-5,7-8,14H2,1-2H3,(H,25,27);3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,24,26);3-4,7-8,11-13,18H,5-6,9-10,14H2,1-2H3,(H,22,25);2-5,8-9,12-13,18H,6-7,10-11,14H2,1H3,(H,23,25);6,9,12-13,16,18H,2-5,7-8,10-11,14H2,1H3,(H,22,24);3-4,7-8,11-12,17H,5-6,9-10,13H2,1-2H3,(H,21,25)
InChIKeyZRCOWJKECHBWCI-UHFFFAOYSA-N
MW3925.89 g/mol
LogP37.70
Rot. Bonds44

About 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one

6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (PubChem CID 162197319) has the molecular formula C229H254F3N25O26S3 and a molecular weight of 3925.89 g/mol. Its IUPAC name is 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
PubChem CID162197319
Molecular FormulaC229H254F3N25O26S3
Molecular Weight3925.89 g/mol
Exact Mass3922.84
IUPAC Name6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
SMILESCc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2=NCc3ccccc32)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cc(F)cc(S(C)(=O)=O)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(=O)(=O)C(C)(F)F)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc3ccccc3c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc3ccccc23)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccn2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccn(C)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccn(C)n2)CC1
InChIInChI=1S/2C26H26N2O2.C24H26F2N2O4S.C24H25N3O2.C23H25FN2O4S.C23H26N2O4S.C21H25N3O2.C21H23N3O2.C21H28N2O2.C20H24N4O2/c1-18-15-24-20(9-12-27-26(24)29)16-25(18)30-22-10-13-28(14-11-22)17-21-7-4-6-19-5-2-3-8-23(19)21;1-18-14-24-22(8-11-27-26(24)29)16-25(18)30-23-9-12-28(13-10-23)17-19-6-7-20-4-2-3-5-21(20)15-19;1-16-13-21-18(7-10-27-23(21)29)14-22(16)32-19-8-11-28(12-9-19)15-17-3-5-20(6-4-17)33(30,31)24(2,25)26;1-16-12-21-17(6-9-25-24(21)28)13-23(16)29-19-7-10-27(11-8-19)15-22-20-5-3-2-4-18(20)14-26-22;1-15-9-21-17(3-6-25-23(21)27)12-22(15)30-19-4-7-26(8-5-19)14-16-10-18(24)13-20(11-16)31(2,28)29;1-16-13-21-18(7-10-24-23(21)26)14-22(16)29-19-8-11-25(12-9-19)15-17-3-5-20(6-4-17)30(2,27)28;1-15-11-19-17(3-7-22-21(19)25)12-20(15)26-18-5-9-24(10-6-18)14-16-4-8-23(2)13-16;1-15-12-19-16(5-9-23-21(19)25)13-20(15)26-18-6-10-24(11-7-18)14-17-4-2-3-8-22-17;1-15-12-19-17(6-9-22-21(19)24)13-20(15)25-18-7-10-23(11-8-18)14-16-4-2-3-5-16;1-14-11-18-15(3-7-21-20(18)25)12-19(14)26-17-5-9-24(10-6-17)13-16-4-8-23(2)22-16/h2-9,12,15-16,22H,10-11,13-14,17H2,1H3,(H,27,29);2-8,11,14-16,23H,9-10,12-13,17H2,1H3,(H,27,29);3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,27,29);2-6,9,12-13,19H,7-8,10-11,14-15H2,1H3,(H,25,28);3,6,9-13,19H,4-5,7-8,14H2,1-2H3,(H,25,27);3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,24,26);3-4,7-8,11-13,18H,5-6,9-10,14H2,1-2H3,(H,22,25);2-5,8-9,12-13,18H,6-7,10-11,14H2,1H3,(H,23,25);6,9,12-13,16,18H,2-5,7-8,10-11,14H2,1H3,(H,22,24);3-4,7-8,11-12,17H,5-6,9-10,13H2,1-2H3,(H,21,25)
InChIKeyZRCOWJKECHBWCI-UHFFFAOYSA-N
XLogP37.70
TPSA603.72 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003925.89
LogP ≤ 537.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one with MolForge

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Related Compounds

6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;bis(5-fluoro-4-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one);5-fluoro-4-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 158741095
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
6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclopentylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;7-methoxy-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methoxy-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one;6-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]oxy-2H-isoquinolin-1-one
CID 161555186

Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one (CID 162197319) is 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2=NCc3ccccc32)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(CC2CCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cc(F)cc(S(C)(=O)=O)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(=O)(=O)C(C)(F)F)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(S(C)(=O)=O)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc3ccccc3c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc3ccccc23)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccn2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccn(C)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccn(C)n2)CC1.
What is the InChIKey of 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
The InChIKey is ZRCOWJKECHBWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26N2O2.C24H26F2N2O4S.C24H25N3O2.C23H25FN2O4S.C23H26N2O4S.C21H25N3O2.C21H23N3O2.C21H28N2O2.C20H24N4O2/c1-18-15-24-20(9-12-27-26(24)29)16-25(18)30-22-10-13-28(14-11-22)17-21-7-4-6-19-5-2-3-8-23(19)21;1-18-14-24-22(8-11-27-26(24)29)16-25(18)30-23-9-12-28(13-10-23)17-19-6-7-20-4-2-3-5-21(20)15-19;1-16-13-21-18(7-10-27-23(21)29)14-22(16)32-19-8-11-28(12-9-19)15-17-3-5-20(6-4-17)33(30,31)24(2,25)26;1-16-12-21-17(6-9-25-24(21)28)13-23(16)29-19-7-10-27(11-8-19)15-22-20-5-3-2-4-18(20)14-26-22;1-15-9-21-17(3-6-25-23(21)27)12-22(15)30-19-4-7-26(8-5-19)14-16-10-18(24)13-20(11-16)31(2,28)29;1-16-13-21-18(7-10-24-23(21)26)14-22(16)29-19-8-11-25(12-9-19)15-17-3-5-20(6-4-17)30(2,27)28;1-15-11-19-17(3-7-22-21(19)25)12-20(15)26-18-5-9-24(10-6-18)14-16-4-8-23(2)13-16;1-15-12-19-16(5-9-23-21(19)25)13-20(15)26-18-6-10-24(11-7-18)14-17-4-2-3-8-22-17;1-15-12-19-17(6-9-22-21(19)24)13-20(15)25-18-7-10-23(11-8-18)14-16-4-2-3-5-16;1-14-11-18-15(3-7-21-20(18)25)12-19(14)26-17-5-9-24(10-6-17)13-16-4-8-23(2)22-16/h2-9,12,15-16,22H,10-11,13-14,17H2,1H3,(H,27,29);2-8,11,14-16,23H,9-10,12-13,17H2,1H3,(H,27,29);3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,27,29);2-6,9,12-13,19H,7-8,10-11,14-15H2,1H3,(H,25,28);3,6,9-13,19H,4-5,7-8,14H2,1-2H3,(H,25,27);3-7,10,13-14,19H,8-9,11-12,15H2,1-2H3,(H,24,26);3-4,7-8,11-13,18H,5-6,9-10,14H2,1-2H3,(H,22,25);2-5,8-9,12-13,18H,6-7,10-11,14H2,1H3,(H,23,25);6,9,12-13,16,18H,2-5,7-8,10-11,14H2,1H3,(H,22,24);3-4,7-8,11-12,17H,5-6,9-10,13H2,1-2H3,(H,21,25).
What are the key properties of 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one?
6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one has a molecular weight of 3925.89 g/mol, XLogP of 37.70, 44 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclopentylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[[4-(1,1-difluoroethylsulfonyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-[(3-fluoro-5-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;6-[1-(3H-isoindol-1-ylmethyl)piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(1-methylpyrrol-3-yl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-methyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 162197319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).