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

C218H267F2N23O26S2 — CID 160764108

IUPAC6-(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
SMILESCC(C)CCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CC(C)CN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CC(F)(F)S(=O)(=O)c1ccc(CN2CCC(COc3ccc4c(=O)[nH]ccc4c3)CC2)cc1.CCCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CS(=O)(=O)c1ccc(CN2CCC(COc3ccc4c(=O)[nH]ccc4c3)CC2)cc1.Cc1ccc(CN2CCCC(Oc3ccc4c(=O)[nH]ccc4c3)C2)cc1.O=c1[nH]ccc2cc(OC3CCCN(CC4CC4)C3)ccc12.O=c1[nH]ccc2cc(OC3CCCN(CC4CCCCC4)C3)ccc12.O=c1[nH]ccc2cc(OCC3CCN(Cc4ccccn4)CC3)ccc12
InChIInChI=1S/C24H26F2N2O4S.C23H26N2O4S.C22H24N2O2.C21H23N3O2.C21H28N2O2.C19H26N2O2.C18H22N2O2.2C18H24N2O2.2C17H22N2O2/c1-24(25,26)33(30,31)21-5-2-17(3-6-21)15-28-12-9-18(10-13-28)16-32-20-4-7-22-19(14-20)8-11-27-23(22)29;1-30(27,28)21-5-2-17(3-6-21)15-25-12-9-18(10-13-25)16-29-20-4-7-22-19(14-20)8-11-24-23(22)26;1-16-4-6-17(7-5-16)14-24-12-2-3-20(15-24)26-19-8-9-21-18(13-19)10-11-23-22(21)25;25-21-20-5-4-19(13-17(20)6-10-23-21)26-15-16-7-11-24(12-8-16)14-18-3-1-2-9-22-18;24-21-20-9-8-18(13-17(20)10-11-22-21)25-19-7-4-12-23(15-19)14-16-5-2-1-3-6-16;1-14(2)8-11-21-10-3-4-17(13-21)23-16-5-6-18-15(12-16)7-9-20-19(18)22;21-18-17-6-5-15(10-14(17)7-8-19-18)22-16-2-1-9-20(12-16)11-13-3-4-13;1-13(2)11-20-9-3-4-16(12-20)22-15-5-6-17-14(10-15)7-8-19-18(17)21;1-2-3-10-20-11-4-5-16(13-20)22-15-6-7-17-14(12-15)8-9-19-18(17)21;2*1-2-9-19-10-3-4-15(12-19)21-14-5-6-16-13(11-14)7-8-18-17(16)20/h2-8,11,14,18H,9-10,12-13,15-16H2,1H3,(H,27,29);2-8,11,14,18H,9-10,12-13,15-16H2,1H3,(H,24,26);4-11,13,20H,2-3,12,14-15H2,1H3,(H,23,25);1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,23,25);8-11,13,16,19H,1-7,12,14-15H2,(H,22,24);5-7,9,12,14,17H,3-4,8,10-11,13H2,1-2H3,(H,20,22);5-8,10,13,16H,1-4,9,11-12H2,(H,19,21);5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,19,21);6-9,12,16H,2-5,10-11,13H2,1H3,(H,19,21);2*5-8,11,15H,2-4,9-10,12H2,1H3,(H,18,20)
InChIKeyRYLNKCWJCRTPSS-UHFFFAOYSA-N
MW3727.80 g/mol
LogP36.43
Rot. Bonds52

About 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

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 (PubChem CID 160764108) has the molecular formula C218H267F2N23O26S2 and a molecular weight of 3727.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160764108
Molecular FormulaC218H267F2N23O26S2
Molecular Weight3727.80 g/mol
Exact Mass3724.97
IUPAC Name6-(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
SMILESCC(C)CCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CC(C)CN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CC(F)(F)S(=O)(=O)c1ccc(CN2CCC(COc3ccc4c(=O)[nH]ccc4c3)CC2)cc1.CCCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CS(=O)(=O)c1ccc(CN2CCC(COc3ccc4c(=O)[nH]ccc4c3)CC2)cc1.Cc1ccc(CN2CCCC(Oc3ccc4c(=O)[nH]ccc4c3)C2)cc1.O=c1[nH]ccc2cc(OC3CCCN(CC4CC4)C3)ccc12.O=c1[nH]ccc2cc(OC3CCCN(CC4CCCCC4)C3)ccc12.O=c1[nH]ccc2cc(OCC3CCN(Cc4ccccn4)CC3)ccc12
InChIInChI=1S/C24H26F2N2O4S.C23H26N2O4S.C22H24N2O2.C21H23N3O2.C21H28N2O2.C19H26N2O2.C18H22N2O2.2C18H24N2O2.2C17H22N2O2/c1-24(25,26)33(30,31)21-5-2-17(3-6-21)15-28-12-9-18(10-13-28)16-32-20-4-7-22-19(14-20)8-11-27-23(22)29;1-30(27,28)21-5-2-17(3-6-21)15-25-12-9-18(10-13-25)16-29-20-4-7-22-19(14-20)8-11-24-23(22)26;1-16-4-6-17(7-5-16)14-24-12-2-3-20(15-24)26-19-8-9-21-18(13-19)10-11-23-22(21)25;25-21-20-5-4-19(13-17(20)6-10-23-21)26-15-16-7-11-24(12-8-16)14-18-3-1-2-9-22-18;24-21-20-9-8-18(13-17(20)10-11-22-21)25-19-7-4-12-23(15-19)14-16-5-2-1-3-6-16;1-14(2)8-11-21-10-3-4-17(13-21)23-16-5-6-18-15(12-16)7-9-20-19(18)22;21-18-17-6-5-15(10-14(17)7-8-19-18)22-16-2-1-9-20(12-16)11-13-3-4-13;1-13(2)11-20-9-3-4-16(12-20)22-15-5-6-17-14(10-15)7-8-19-18(17)21;1-2-3-10-20-11-4-5-16(13-20)22-15-6-7-17-14(12-15)8-9-19-18(17)21;2*1-2-9-19-10-3-4-15(12-19)21-14-5-6-16-13(11-14)7-8-18-17(16)20/h2-8,11,14,18H,9-10,12-13,15-16H2,1H3,(H,27,29);2-8,11,14,18H,9-10,12-13,15-16H2,1H3,(H,24,26);4-11,13,20H,2-3,12,14-15H2,1H3,(H,23,25);1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,23,25);8-11,13,16,19H,1-7,12,14-15H2,(H,22,24);5-7,9,12,14,17H,3-4,8,10-11,13H2,1-2H3,(H,20,22);5-8,10,13,16H,1-4,9,11-12H2,(H,19,21);5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,19,21);6-9,12,16H,2-5,10-11,13H2,1H3,(H,19,21);2*5-8,11,15H,2-4,9-10,12H2,1H3,(H,18,20)
InChIKeyRYLNKCWJCRTPSS-UHFFFAOYSA-N
XLogP36.43
TPSA579.80 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds52
Heavy Atoms271
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003727.80
LogP ≤ 536.43
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,1-difluoroethoxy)-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-2-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;N,N-dimethyl-4-(2-methylpropyl)benzamide;1-(1-fluoroethoxy)-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-[2-fluoro-4-(2-methylpropyl)phenyl]ethanone;N-methyl-3-(2-methylpropyl)benzamide;5-methyl-2-(2-methylpropyl)benzamide;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;1-[2-(2-methylpropyl)phenyl]ethanone;1-[3-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]ethanone;1-[4-(2-methylpropyl)phenyl]propan-1-one;1-[5-(2-methylpropyl)-2-pyridinyl]ethanone
CID 157080499
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
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
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
N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorobenzamide;(3,3-difluoroazetidin-1-yl)-[4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorophenyl]methanone;1-(2,2-difluorobutyl)-4-[(1R,2S)-2-[2-(3,5-difluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine;bis(1-(2,2-difluoropropyl)-4-[(1R,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidine);2-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-5-methylsulfonylpyridine
CID 161086327
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
1-[6-(4-ethoxyphenyl)-1-hydroxypyridin-1-ium-3-yl]-4-(3-methylphenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-methylpropoxy)phenyl]butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-(3-fluorophenyl)butan-2-one;1-[5-(4-ethoxyphenyl)-2-pyridinyl]-4-[3-fluoro-5-(2-piperidin-1-ylethoxy)phenyl]butan-2-one;2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-fluorophenyl)methyl]-2-(5-phenyl-2-pyridinyl)acetamide;2-[4-(1-hydroxypyridin-1-ium-4-yl)phenyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-(4-methylsulfonylphenyl)-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide
CID 158843135
N,N-dimethyl-3-(2-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(4-methoxy-2,6-dimethylphenyl)-2-propan-2-ylpyridine;3-(4-methoxy-2-methylphenyl)-2-propan-2-ylpyridine;3-(2-methylphenyl)-2-propan-2-ylpyridine;N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide;3-(3-methylsulfonylphenyl)-2-propan-2-ylpyridine;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]ethanone;1-[3-(2-propan-2-yl-3-pyridinyl)phenyl]propan-1-one
CID 159461709
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
4-[6-[1-[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorobenzoyl]piperidin-4-yl]oxy-3-pyridinyl]-N,N-dimethylbenzamide;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[4-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorobenzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 167588462

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CC(C)CN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CC(F)(F)S(=O)(=O)c1ccc(CN2CCC(COc3ccc4c(=O)[nH]ccc4c3)CC2)cc1.CCCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CCCN1CCCC(Oc2ccc3c(=O)[nH]ccc3c2)C1.CS(=O)(=O)c1ccc(CN2CCC(COc3ccc4c(=O)[nH]ccc4c3)CC2)cc1.Cc1ccc(CN2CCCC(Oc3ccc4c(=O)[nH]ccc4c3)C2)cc1.O=c1[nH]ccc2cc(OC3CCCN(CC4CC4)C3)ccc12.O=c1[nH]ccc2cc(OC3CCCN(CC4CCCCC4)C3)ccc12.O=c1[nH]ccc2cc(OCC3CCN(Cc4ccccn4)CC3)ccc12.
What is the InChIKey of 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?
The InChIKey is RYLNKCWJCRTPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4S.C23H26N2O4S.C22H24N2O2.C21H23N3O2.C21H28N2O2.C19H26N2O2.C18H22N2O2.2C18H24N2O2.2C17H22N2O2/c1-24(25,26)33(30,31)21-5-2-17(3-6-21)15-28-12-9-18(10-13-28)16-32-20-4-7-22-19(14-20)8-11-27-23(22)29;1-30(27,28)21-5-2-17(3-6-21)15-25-12-9-18(10-13-25)16-29-20-4-7-22-19(14-20)8-11-24-23(22)26;1-16-4-6-17(7-5-16)14-24-12-2-3-20(15-24)26-19-8-9-21-18(13-19)10-11-23-22(21)25;25-21-20-5-4-19(13-17(20)6-10-23-21)26-15-16-7-11-24(12-8-16)14-18-3-1-2-9-22-18;24-21-20-9-8-18(13-17(20)10-11-22-21)25-19-7-4-12-23(15-19)14-16-5-2-1-3-6-16;1-14(2)8-11-21-10-3-4-17(13-21)23-16-5-6-18-15(12-16)7-9-20-19(18)22;21-18-17-6-5-15(10-14(17)7-8-19-18)22-16-2-1-9-20(12-16)11-13-3-4-13;1-13(2)11-20-9-3-4-16(12-20)22-15-5-6-17-14(10-15)7-8-19-18(17)21;1-2-3-10-20-11-4-5-16(13-20)22-15-6-7-17-14(12-15)8-9-19-18(17)21;2*1-2-9-19-10-3-4-15(12-19)21-14-5-6-16-13(11-14)7-8-18-17(16)20/h2-8,11,14,18H,9-10,12-13,15-16H2,1H3,(H,27,29);2-8,11,14,18H,9-10,12-13,15-16H2,1H3,(H,24,26);4-11,13,20H,2-3,12,14-15H2,1H3,(H,23,25);1-6,9-10,13,16H,7-8,11-12,14-15H2,(H,23,25);8-11,13,16,19H,1-7,12,14-15H2,(H,22,24);5-7,9,12,14,17H,3-4,8,10-11,13H2,1-2H3,(H,20,22);5-8,10,13,16H,1-4,9,11-12H2,(H,19,21);5-8,10,13,16H,3-4,9,11-12H2,1-2H3,(H,19,21);6-9,12,16H,2-5,10-11,13H2,1H3,(H,19,21);2*5-8,11,15H,2-4,9-10,12H2,1H3,(H,18,20).
What are the key properties of 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?
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 has a molecular weight of 3727.80 g/mol, XLogP of 36.43, 52 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160764108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).