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

C246H273Cl4F2N23O22 — CID 159627575

IUPACbis(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
SMILESCc1cc(Cl)cc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)c1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C2CCCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(C(C)(F)F)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc(Cl)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2Cl)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccnc2)CC1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)c(Cl)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)cc1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)cc1
InChIInChI=1S/C24H26F2N2O2.2C23H25ClN2O2.2C23H26N2O2.2C22H23ClN2O2.2C22H24N2O2.C21H23N3O2.C21H28N2O2/c1-16-13-21-18(7-10-27-23(21)29)14-22(16)30-20-8-11-28(12-9-20)15-17-3-5-19(6-4-17)24(2,25)26;1-15-9-17(12-19(24)10-15)14-26-7-4-20(5-8-26)28-22-13-18-3-6-25-23(27)21(18)11-16(22)2;1-15-3-4-18(21(24)11-15)14-26-9-6-19(7-10-26)28-22-13-17-5-8-25-23(27)20(17)12-16(22)2;2*1-16-3-5-18(6-4-16)15-25-11-8-20(9-12-25)27-22-14-19-7-10-24-23(26)21(19)13-17(22)2;1-15-11-20-17(5-8-24-22(20)26)13-21(15)27-19-6-9-25(10-7-19)14-16-3-2-4-18(23)12-16;1-15-12-19-16(6-9-24-22(19)26)13-21(15)27-18-7-10-25(11-8-18)14-17-4-2-3-5-20(17)23;2*1-16-13-20-18(7-10-23-22(20)25)14-21(16)26-19-8-11-24(12-9-19)15-17-5-3-2-4-6-17;1-15-11-19-17(4-8-23-21(19)25)12-20(15)26-18-5-9-24(10-6-18)14-16-3-2-7-22-13-16;1-15-13-19-16(7-10-22-21(19)24)14-20(15)25-18-8-11-23(12-9-18)17-5-3-2-4-6-17/h3-7,10,13-14,20H,8-9,11-12,15H2,1-2H3,(H,27,29);3,6,9-13,20H,4-5,7-8,14H2,1-2H3,(H,25,27);3-5,8,11-13,19H,6-7,9-10,14H2,1-2H3,(H,25,27);2*3-7,10,13-14,20H,8-9,11-12,15H2,1-2H3,(H,24,26);2-5,8,11-13,19H,6-7,9-10,14H2,1H3,(H,24,26);2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,24,26);2*2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,23,25);2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,23,25);7,10,13-14,17-18H,2-6,8-9,11-12H2,1H3,(H,22,24)
InChIKeyMORUHTDKTFUICN-UHFFFAOYSA-N
MW4083.84 g/mol
LogP47.17
Rot. Bonds44

About 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

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 (PubChem CID 159627575) has the molecular formula C246H273Cl4F2N23O22 and a molecular weight of 4083.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159627575
Molecular FormulaC246H273Cl4F2N23O22
Molecular Weight4083.84 g/mol
Exact Mass4078.97
IUPAC Namebis(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
SMILESCc1cc(Cl)cc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)c1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C2CCCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(C(C)(F)F)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc(Cl)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2Cl)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccnc2)CC1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)c(Cl)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)cc1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)cc1
InChIInChI=1S/C24H26F2N2O2.2C23H25ClN2O2.2C23H26N2O2.2C22H23ClN2O2.2C22H24N2O2.C21H23N3O2.C21H28N2O2/c1-16-13-21-18(7-10-27-23(21)29)14-22(16)30-20-8-11-28(12-9-20)15-17-3-5-19(6-4-17)24(2,25)26;1-15-9-17(12-19(24)10-15)14-26-7-4-20(5-8-26)28-22-13-18-3-6-25-23(27)21(18)11-16(22)2;1-15-3-4-18(21(24)11-15)14-26-9-6-19(7-10-26)28-22-13-17-5-8-25-23(27)20(17)12-16(22)2;2*1-16-3-5-18(6-4-16)15-25-11-8-20(9-12-25)27-22-14-19-7-10-24-23(26)21(19)13-17(22)2;1-15-11-20-17(5-8-24-22(20)26)13-21(15)27-19-6-9-25(10-7-19)14-16-3-2-4-18(23)12-16;1-15-12-19-16(6-9-24-22(19)26)13-21(15)27-18-7-10-25(11-8-18)14-17-4-2-3-5-20(17)23;2*1-16-13-20-18(7-10-23-22(20)25)14-21(16)26-19-8-11-24(12-9-19)15-17-5-3-2-4-6-17;1-15-11-19-17(4-8-23-21(19)25)12-20(15)26-18-5-9-24(10-6-18)14-16-3-2-7-22-13-16;1-15-13-19-16(7-10-22-21(19)24)14-20(15)25-18-8-11-23(12-9-18)17-5-3-2-4-6-17/h3-7,10,13-14,20H,8-9,11-12,15H2,1-2H3,(H,27,29);3,6,9-13,20H,4-5,7-8,14H2,1-2H3,(H,25,27);3-5,8,11-13,19H,6-7,9-10,14H2,1-2H3,(H,25,27);2*3-7,10,13-14,20H,8-9,11-12,15H2,1-2H3,(H,24,26);2-5,8,11-13,19H,6-7,9-10,14H2,1H3,(H,24,26);2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,24,26);2*2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,23,25);2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,23,25);7,10,13-14,17-18H,2-6,8-9,11-12H2,1H3,(H,22,24)
InChIKeyMORUHTDKTFUICN-UHFFFAOYSA-N
XLogP47.17
TPSA511.52 Ų
H-Bond Donors11
H-Bond Acceptors34
Rotatable Bonds44
Heavy Atoms297
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004083.84
LogP ≤ 547.17
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[(4R)-6-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decane-2-carbonyl)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 59505484
4-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 66798236
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
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
1-Chloro-2-fluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-3-methyl-5-propan-2-ylbenzene;1,2-dichloro-4-propan-2-ylbenzene;1,2-difluoro-4-methyl-5-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-5-propan-2-ylbenzamide;methane;bis(1-methoxy-2-methyl-4-propan-2-ylbenzene);1-methyl-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;3-propan-2-yl-1,2,3,4-tetrahydroquinoline;1-propan-2-yl-4-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 158446095
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
N-[(1S)-2-(3-chlorophenyl)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[4-methoxy-3-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 159446430
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
2-chloro-N-[(4R)-6-(8-pyridin-4-yloxy-2,8-diazaspiro[4.5]decane-2-carbonyl)-7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 159872929
6-[(4-chlorophenyl)methylamino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;6-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-hydroxy-6-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-hydroxy-6-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-hydroxy-6-(pyridin-4-ylmethylamino)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-hydroxy-6-pyridin-4-yloxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide;N-hydroxy-6-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 159955103
5-[2-[4-chloro-3-(2,2-difluoropropyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[2-(3-chloro-5-methylphenoxy)ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethoxy)-4-fluorophenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)-2-fluorophenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;N-(2-methylpropyl)-5-[[4-methyl-3-(trifluoromethoxy)phenyl]methoxymethyl]pyridine-2-carboxamide;N-(2-methylpropyl)-5-[[3-methyl-5-(trifluoromethyl)phenyl]methoxymethyl]pyridine-2-carboxamide
CID 160426571
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cl)cc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)c1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(C2CCCCC2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccc(C(C)(F)F)cc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccc(Cl)c2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2ccccc2Cl)CC1.Cc1cc2c(=O)[nH]ccc2cc1OC1CCN(Cc2cccnc2)CC1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)c(Cl)c1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)cc1.Cc1ccc(CN2CCC(Oc3cc4cc[nH]c(=O)c4cc3C)CC2)cc1.
What is the InChIKey of 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?
The InChIKey is MORUHTDKTFUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2.2C23H25ClN2O2.2C23H26N2O2.2C22H23ClN2O2.2C22H24N2O2.C21H23N3O2.C21H28N2O2/c1-16-13-21-18(7-10-27-23(21)29)14-22(16)30-20-8-11-28(12-9-20)15-17-3-5-19(6-4-17)24(2,25)26;1-15-9-17(12-19(24)10-15)14-26-7-4-20(5-8-26)28-22-13-18-3-6-25-23(27)21(18)11-16(22)2;1-15-3-4-18(21(24)11-15)14-26-9-6-19(7-10-26)28-22-13-17-5-8-25-23(27)20(17)12-16(22)2;2*1-16-3-5-18(6-4-16)15-25-11-8-20(9-12-25)27-22-14-19-7-10-24-23(26)21(19)13-17(22)2;1-15-11-20-17(5-8-24-22(20)26)13-21(15)27-19-6-9-25(10-7-19)14-16-3-2-4-18(23)12-16;1-15-12-19-16(6-9-24-22(19)26)13-21(15)27-18-7-10-25(11-8-18)14-17-4-2-3-5-20(17)23;2*1-16-13-20-18(7-10-23-22(20)25)14-21(16)26-19-8-11-24(12-9-19)15-17-5-3-2-4-6-17;1-15-11-19-17(4-8-23-21(19)25)12-20(15)26-18-5-9-24(10-6-18)14-16-3-2-7-22-13-16;1-15-13-19-16(7-10-22-21(19)24)14-20(15)25-18-8-11-23(12-9-18)17-5-3-2-4-6-17/h3-7,10,13-14,20H,8-9,11-12,15H2,1-2H3,(H,27,29);3,6,9-13,20H,4-5,7-8,14H2,1-2H3,(H,25,27);3-5,8,11-13,19H,6-7,9-10,14H2,1-2H3,(H,25,27);2*3-7,10,13-14,20H,8-9,11-12,15H2,1-2H3,(H,24,26);2-5,8,11-13,19H,6-7,9-10,14H2,1H3,(H,24,26);2-6,9,12-13,18H,7-8,10-11,14H2,1H3,(H,24,26);2*2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,23,25);2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,23,25);7,10,13-14,17-18H,2-6,8-9,11-12H2,1H3,(H,22,24).
What are the key properties of 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?
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 has a molecular weight of 4083.84 g/mol, XLogP of 47.17, 44 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159627575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).