6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one

C191H255F5N20O20 — CID 158080012

IUPAC6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
SMILESCC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CC(C)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.CCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC(C)C)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC2CC2)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)(F)F)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)C)CC1
InChIInChI=1S/C21H30N2O2.C20H26F2N2O2.C20H26N2O2.2C20H28N2O2.C19H26N2O2.2C18H23FN2O2.C18H24N2O2.C17H21FN2O2/c1-14(2)5-8-23-9-6-17(7-10-23)25-20-12-18-16(4)13-22-21(24)19(18)11-15(20)3;1-13-10-17-16(14(2)12-23-19(17)25)11-18(13)26-15-4-7-24(8-5-15)9-6-20(3,21)22;1-13-9-18-17(14(2)11-21-20(18)23)10-19(13)24-16-5-7-22(8-6-16)12-15-3-4-15;1-13(2)12-22-7-5-16(6-8-22)24-19-10-17-15(4)11-21-20(23)18(17)9-14(19)3;1-4-5-8-22-9-6-16(7-10-22)24-19-12-17-15(3)13-21-20(23)18(17)11-14(19)2;1-4-7-21-8-5-15(6-9-21)23-18-11-16-14(3)12-20-19(22)17(16)10-13(18)2;1-12(2)11-21-7-4-14(5-8-21)23-17-9-13-3-6-20-18(22)15(13)10-16(17)19;1-2-3-8-21-9-5-14(6-10-21)23-17-11-13-4-7-20-18(22)15(13)12-16(17)19;1-4-20-7-5-14(6-8-20)22-17-10-15-13(3)11-19-18(21)16(15)9-12(17)2;1-11(2)20-7-4-13(5-8-20)22-16-9-12-3-6-19-17(21)14(12)10-15(16)18/h11-14,17H,5-10H2,1-4H3,(H,22,24);10-12,15H,4-9H2,1-3H3,(H,23,25);9-11,15-16H,3-8,12H2,1-2H3,(H,21,23);9-11,13,16H,5-8,12H2,1-4H3,(H,21,23);11-13,16H,4-10H2,1-3H3,(H,21,23);10-12,15H,4-9H2,1-3H3,(H,20,22);3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H,20,22);4,7,11-12,14H,2-3,5-6,8-10H2,1H3,(H,20,22);9-11,14H,4-8H2,1-3H3,(H,19,21);3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,19,21)
InChIKeyFMVLQHDDBKCXJC-UHFFFAOYSA-N
MW3246.25 g/mol
LogP34.70
Rot. Bonds42

About 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one

6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one (PubChem CID 158080012) has the molecular formula C191H255F5N20O20 and a molecular weight of 3246.25 g/mol. Its IUPAC name is 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
PubChem CID158080012
Molecular FormulaC191H255F5N20O20
Molecular Weight3246.25 g/mol
Exact Mass3243.95
IUPAC Name6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
SMILESCC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CC(C)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.CCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC(C)C)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC2CC2)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)(F)F)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)C)CC1
InChIInChI=1S/C21H30N2O2.C20H26F2N2O2.C20H26N2O2.2C20H28N2O2.C19H26N2O2.2C18H23FN2O2.C18H24N2O2.C17H21FN2O2/c1-14(2)5-8-23-9-6-17(7-10-23)25-20-12-18-16(4)13-22-21(24)19(18)11-15(20)3;1-13-10-17-16(14(2)12-23-19(17)25)11-18(13)26-15-4-7-24(8-5-15)9-6-20(3,21)22;1-13-9-18-17(14(2)11-21-20(18)23)10-19(13)24-16-5-7-22(8-6-16)12-15-3-4-15;1-13(2)12-22-7-5-16(6-8-22)24-19-10-17-15(4)11-21-20(23)18(17)9-14(19)3;1-4-5-8-22-9-6-16(7-10-22)24-19-12-17-15(3)13-21-20(23)18(17)11-14(19)2;1-4-7-21-8-5-15(6-9-21)23-18-11-16-14(3)12-20-19(22)17(16)10-13(18)2;1-12(2)11-21-7-4-14(5-8-21)23-17-9-13-3-6-20-18(22)15(13)10-16(17)19;1-2-3-8-21-9-5-14(6-10-21)23-17-11-13-4-7-20-18(22)15(13)12-16(17)19;1-4-20-7-5-14(6-8-20)22-17-10-15-13(3)11-19-18(21)16(15)9-12(17)2;1-11(2)20-7-4-13(5-8-20)22-16-9-12-3-6-19-17(21)14(12)10-15(16)18/h11-14,17H,5-10H2,1-4H3,(H,22,24);10-12,15H,4-9H2,1-3H3,(H,23,25);9-11,15-16H,3-8,12H2,1-2H3,(H,21,23);9-11,13,16H,5-8,12H2,1-4H3,(H,21,23);11-13,16H,4-10H2,1-3H3,(H,21,23);10-12,15H,4-9H2,1-3H3,(H,20,22);3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H,20,22);4,7,11-12,14H,2-3,5-6,8-10H2,1H3,(H,20,22);9-11,14H,4-8H2,1-3H3,(H,19,21);3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,19,21)
InChIKeyFMVLQHDDBKCXJC-UHFFFAOYSA-N
XLogP34.70
TPSA453.30 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003246.25
LogP ≤ 534.70
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 57652501
6-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]oxy-7-methyl-2H-isoquinolin-1-one
CID 67731967
5-[2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]oxy-N-[(4R)-3,3-difluoro-1-(oxan-4-yl)piperidin-4-yl]-2-fluoro-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]benzamide
CID 118465440
2-fluoro-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-5-[1-oxo-2-(2,2,2-trifluoroethyl)isoquinolin-6-yl]oxybenzamide
CID 118465489
2-fluoro-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-5-[1-oxo-2-(2,2,2-trifluoroethyl)isoquinolin-6-yl]oxybenzamide
CID 123301599
5-[2-(cyclopropylmethyl)-1-oxoisoquinolin-6-yl]oxy-N-[3,3-difluoro-1-(oxan-4-yl)piperidin-4-yl]-2-fluoro-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123968915
[(9aS)-6-[4-[3-(dimethylamino)propoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[(9aS)-6-(2,3-dimethyl-4-propoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 157079776
6-(cyclohexylmethoxy)-2H-isoquinolin-1-one;6-cyclohexyloxy-4,7-dimethyl-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-cyclohexyloxy-4-ethyl-2H-isoquinolin-1-one;6-cyclohexyloxy-4-methyl-7-(trifluoromethyl)-2H-isoquinolin-1-one;bis(6-[(2S)-2-methylpiperidin-4-yl]oxy-2H-isoquinolin-1-one)
CID 157133472
N-tert-butyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorobenzamide;N-(2,2-difluorocyclopropyl)-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(2-hydroxyethyl)benzamide;[4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 157570990
[(9aS)-6-(2,3-dimethyl-4-propoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[(9aS)-6-[4-[4-(2-hydroxyethylamino)butoxy]-2,3-dimethylphenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 157903901
N-cyclopropyl-4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluorobenzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluorobutyl)piperidin-4-yl]cyclopropyl]ethoxy]-2,6-difluoro-N-(1-methylcyclopropyl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-[(1-hydroxycyclopropyl)methyl]benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide;4-[2-[(1S,2R)-2-[1-(2,2-difluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 158241675
6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one;4-ethyl-6-(1-ethylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-ethyl-7-fluoro-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;methane
CID 158648121

Frequently Asked Questions

What is the IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
The IUPAC name of 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one (CID 158080012) is 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
The canonical SMILES for 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one is CC(C)CN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CC(C)N1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.CCCCN1CCC(Oc2cc3cc[nH]c(=O)c3cc2F)CC1.CCCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.CCN1CCC(Oc2cc3c(C)c[nH]c(=O)c3cc2C)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC(C)C)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CC2CC2)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)(F)F)CC1.Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(CCC(C)C)CC1.
What is the InChIKey of 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
The InChIKey is FMVLQHDDBKCXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.C20H26F2N2O2.C20H26N2O2.2C20H28N2O2.C19H26N2O2.2C18H23FN2O2.C18H24N2O2.C17H21FN2O2/c1-14(2)5-8-23-9-6-17(7-10-23)25-20-12-18-16(4)13-22-21(24)19(18)11-15(20)3;1-13-10-17-16(14(2)12-23-19(17)25)11-18(13)26-15-4-7-24(8-5-15)9-6-20(3,21)22;1-13-9-18-17(14(2)11-21-20(18)23)10-19(13)24-16-5-7-22(8-6-16)12-15-3-4-15;1-13(2)12-22-7-5-16(6-8-22)24-19-10-17-15(4)11-21-20(23)18(17)9-14(19)3;1-4-5-8-22-9-6-16(7-10-22)24-19-12-17-15(3)13-21-20(23)18(17)11-14(19)2;1-4-7-21-8-5-15(6-9-21)23-18-11-16-14(3)12-20-19(22)17(16)10-13(18)2;1-12(2)11-21-7-4-14(5-8-21)23-17-9-13-3-6-20-18(22)15(13)10-16(17)19;1-2-3-8-21-9-5-14(6-10-21)23-17-11-13-4-7-20-18(22)15(13)12-16(17)19;1-4-20-7-5-14(6-8-20)22-17-10-15-13(3)11-19-18(21)16(15)9-12(17)2;1-11(2)20-7-4-13(5-8-20)22-16-9-12-3-6-19-17(21)14(12)10-15(16)18/h11-14,17H,5-10H2,1-4H3,(H,22,24);10-12,15H,4-9H2,1-3H3,(H,23,25);9-11,15-16H,3-8,12H2,1-2H3,(H,21,23);9-11,13,16H,5-8,12H2,1-4H3,(H,21,23);11-13,16H,4-10H2,1-3H3,(H,21,23);10-12,15H,4-9H2,1-3H3,(H,20,22);3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H,20,22);4,7,11-12,14H,2-3,5-6,8-10H2,1H3,(H,20,22);9-11,14H,4-8H2,1-3H3,(H,19,21);3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,19,21).
What are the key properties of 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one?
6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one has a molecular weight of 3246.25 g/mol, XLogP of 34.70, 42 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-7-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4,7-dimethyl-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4,7-dimethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-4,7-dimethyl-2H-isoquinolin-1-one;7-fluoro-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;7-fluoro-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one is sourced from PubChem (CID 158080012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).