6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)

C153H206N16O16 — CID 157327783

IUPAC6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)
SMILESCC(C)CCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CC(C)CN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CC(C)N1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.O=c1[nH]ccc2cc(OCC3CCN(CC4CC4)CC3)ccc12.O=c1[nH]ccc2cc(OCC3CCN(CC4CCCCC4)CC3)ccc12
InChIInChI=1S/C22H30N2O2.C20H28N2O2.C19H24N2O2.2C19H26N2O2.3C18H24N2O2/c25-22-21-7-6-20(14-19(21)8-11-23-22)26-16-18-9-12-24(13-10-18)15-17-4-2-1-3-5-17;1-15(2)6-10-22-11-7-16(8-12-22)14-24-18-3-4-19-17(13-18)5-9-21-20(19)23;22-19-18-4-3-17(11-16(18)5-8-20-19)23-13-15-6-9-21(10-7-15)12-14-1-2-14;1-14(2)12-21-9-6-15(7-10-21)13-23-17-3-4-18-16(11-17)5-8-20-19(18)22;1-2-3-10-21-11-7-15(8-12-21)14-23-17-4-5-18-16(13-17)6-9-20-19(18)22;1-13(2)20-9-6-14(7-10-20)12-22-16-3-4-17-15(11-16)5-8-19-18(17)21;2*1-2-9-20-10-6-14(7-11-20)13-22-16-3-4-17-15(12-16)5-8-19-18(17)21/h6-8,11,14,17-18H,1-5,9-10,12-13,15-16H2,(H,23,25);3-5,9,13,15-16H,6-8,10-12,14H2,1-2H3,(H,21,23);3-5,8,11,14-15H,1-2,6-7,9-10,12-13H2,(H,20,22);3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,20,22);4-6,9,13,15H,2-3,7-8,10-12,14H2,1H3,(H,20,22);3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,19,21);2*3-5,8,12,14H,2,6-7,9-11,13H2,1H3,(H,19,21)
InChIKeyBEXWUQMVAFFFCE-UHFFFAOYSA-N
MW2525.43 g/mol
LogP26.67
Rot. Bonds41

About 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)

6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one) (PubChem CID 157327783) has the molecular formula C153H206N16O16 and a molecular weight of 2525.43 g/mol. Its IUPAC name is 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one).

Molecular Properties

Compound Name6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)
PubChem CID157327783
Molecular FormulaC153H206N16O16
Molecular Weight2525.43 g/mol
Exact Mass2523.58
IUPAC Name6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)
SMILESCC(C)CCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CC(C)CN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CC(C)N1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.O=c1[nH]ccc2cc(OCC3CCN(CC4CC4)CC3)ccc12.O=c1[nH]ccc2cc(OCC3CCN(CC4CCCCC4)CC3)ccc12
InChIInChI=1S/C22H30N2O2.C20H28N2O2.C19H24N2O2.2C19H26N2O2.3C18H24N2O2/c25-22-21-7-6-20(14-19(21)8-11-23-22)26-16-18-9-12-24(13-10-18)15-17-4-2-1-3-5-17;1-15(2)6-10-22-11-7-16(8-12-22)14-24-18-3-4-19-17(13-18)5-9-21-20(19)23;22-19-18-4-3-17(11-16(18)5-8-20-19)23-13-15-6-9-21(10-7-15)12-14-1-2-14;1-14(2)12-21-9-6-15(7-10-21)13-23-17-3-4-18-16(11-17)5-8-20-19(18)22;1-2-3-10-21-11-7-15(8-12-21)14-23-17-4-5-18-16(13-17)6-9-20-19(18)22;1-13(2)20-9-6-14(7-10-20)12-22-16-3-4-17-15(11-16)5-8-19-18(17)21;2*1-2-9-20-10-6-14(7-11-20)13-22-16-3-4-17-15(12-16)5-8-19-18(17)21/h6-8,11,14,17-18H,1-5,9-10,12-13,15-16H2,(H,23,25);3-5,9,13,15-16H,6-8,10-12,14H2,1-2H3,(H,21,23);3-5,8,11,14-15H,1-2,6-7,9-10,12-13H2,(H,20,22);3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,20,22);4-6,9,13,15H,2-3,7-8,10-12,14H2,1H3,(H,20,22);3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,19,21);2*3-5,8,12,14H,2,6-7,9-11,13H2,1H3,(H,19,21)
InChIKeyBEXWUQMVAFFFCE-UHFFFAOYSA-N
XLogP26.67
TPSA362.64 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002525.43
LogP ≤ 526.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one) with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-4-[[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]methoxy]benzamide
CID 53150515
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
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
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
6-(1-butylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]oxy-7-methoxy-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-5-fluoro-4-methyl-2H-isoquinolin-1-one;5-fluoro-4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-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-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 159905707
6-(1-butylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-methyl-2H-isoquinolin-1-one;4-methyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;4-methyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 160540996
4-bromo-6-cyclohexyloxy-2H-isoquinolin-1-one;6-(1-butylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-(4-cyclohexylbutoxy)-2H-isoquinolin-1-one;6-(2-cyclohexylethoxy)-2H-isoquinolin-1-one;6-(cyclohexylmethoxy)-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-(1-ethylpiperidin-4-yl)oxy-2H-isoquinolin-1-one;6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 161987140
6-(1-butylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-(1-cyclohexylpiperidin-4-yl)oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-2H-isoquinolin-1-one;4-ethyl-6-[1-(3-methylbutyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-[1-(2-methylpropyl)piperidin-4-yl]oxy-2H-isoquinolin-1-one;4-ethyl-6-(1-propylpiperidin-4-yl)oxy-2H-isoquinolin-1-one
CID 162145122
2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 167556632
N-ethyl-2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide;2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetamide;2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-methylacetamide;2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 167654518
6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one
CID 57652369
6-[(1-cyclohexylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one
CID 57652378

Frequently Asked Questions

What is the IUPAC name of 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)?
The IUPAC name of 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one) (CID 157327783) is 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one).
What is the SMILES notation for 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)?
The canonical SMILES for 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one) is CC(C)CCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CC(C)CN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CC(C)N1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.CCCN1CCC(COc2ccc3c(=O)[nH]ccc3c2)CC1.O=c1[nH]ccc2cc(OCC3CCN(CC4CC4)CC3)ccc12.O=c1[nH]ccc2cc(OCC3CCN(CC4CCCCC4)CC3)ccc12.
What is the InChIKey of 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)?
The InChIKey is BEXWUQMVAFFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.C20H28N2O2.C19H24N2O2.2C19H26N2O2.3C18H24N2O2/c25-22-21-7-6-20(14-19(21)8-11-23-22)26-16-18-9-12-24(13-10-18)15-17-4-2-1-3-5-17;1-15(2)6-10-22-11-7-16(8-12-22)14-24-18-3-4-19-17(13-18)5-9-21-20(19)23;22-19-18-4-3-17(11-16(18)5-8-20-19)23-13-15-6-9-21(10-7-15)12-14-1-2-14;1-14(2)12-21-9-6-15(7-10-21)13-23-17-3-4-18-16(11-17)5-8-20-19(18)22;1-2-3-10-21-11-7-15(8-12-21)14-23-17-4-5-18-16(13-17)6-9-20-19(18)22;1-13(2)20-9-6-14(7-10-20)12-22-16-3-4-17-15(11-16)5-8-19-18(17)21;2*1-2-9-20-10-6-14(7-11-20)13-22-16-3-4-17-15(12-16)5-8-19-18(17)21/h6-8,11,14,17-18H,1-5,9-10,12-13,15-16H2,(H,23,25);3-5,9,13,15-16H,6-8,10-12,14H2,1-2H3,(H,21,23);3-5,8,11,14-15H,1-2,6-7,9-10,12-13H2,(H,20,22);3-5,8,11,14-15H,6-7,9-10,12-13H2,1-2H3,(H,20,22);4-6,9,13,15H,2-3,7-8,10-12,14H2,1H3,(H,20,22);3-5,8,11,13-14H,6-7,9-10,12H2,1-2H3,(H,19,21);2*3-5,8,12,14H,2,6-7,9-11,13H2,1H3,(H,19,21).
What are the key properties of 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one)?
6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one) has a molecular weight of 2525.43 g/mol, XLogP of 26.67, 41 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-butylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclohexylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]-2H-isoquinolin-1-one;6-[(1-propan-2-ylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one;bis(6-[(1-propylpiperidin-4-yl)methoxy]-2H-isoquinolin-1-one) is sourced from PubChem (CID 157327783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).