6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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

C167H212F8N16O16 — CID 160955187

IUPAC6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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
SMILESCCCN1CCC(Oc2cc3c(CC)c[nH]c(=O)c3cc2F)CC1.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12
InChIInChI=1S/C27H27FN2O2.C23H31FN2O2.C21H29FN2O2.C20H25FN2O2.C20H27FN2O2.2C19H25FN2O2.C18H23FN2O2/c1-2-19-16-29-27(31)23-9-10-24(26(28)25(19)23)32-22-11-13-30(14-12-22)17-18-7-8-20-5-3-4-6-21(20)15-18;1-2-17-14-25-23(27)19-8-9-20(22(24)21(17)19)28-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16;1-4-15-13-23-21(25)18-11-19(22)20(12-17(15)18)26-16-6-9-24(10-7-16)8-5-14(2)3;1-2-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13-3-4-13;1-4-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13(2)3;1-4-13-11-21-19(23)16-9-17(20)18(10-15(13)16)24-14-5-7-22(8-6-14)12(2)3;1-3-7-22-8-5-14(6-9-22)24-18-11-15-13(4-2)12-21-19(23)16(15)10-17(18)20;1-3-12-11-20-18(22)15-9-16(19)17(10-14(12)15)23-13-5-7-21(4-2)8-6-13/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,29,31);8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,25,27);11-14,16H,4-10H2,1-3H3,(H,23,25);9-11,13,15H,2-8,12H2,1H3,(H,22,24);9-11,13,15H,4-8,12H2,1-3H3,(H,22,24);9-12,14H,4-8H2,1-3H3,(H,21,23);10-12,14H,3-9H2,1-2H3,(H,21,23);9-11,13H,3-8H2,1-2H3,(H,20,22)
InChIKeySWHFGCIRIWNAKO-UHFFFAOYSA-N
MW2851.61 g/mol
LogP31.47
Rot. Bonds39

About 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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

6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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 (PubChem CID 160955187) has the molecular formula C167H212F8N16O16 and a molecular weight of 2851.61 g/mol. Its IUPAC name is 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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.

Molecular Properties

Compound Name6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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
PubChem CID160955187
Molecular FormulaC167H212F8N16O16
Molecular Weight2851.61 g/mol
Exact Mass2849.61
IUPAC Name6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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
SMILESCCCN1CCC(Oc2cc3c(CC)c[nH]c(=O)c3cc2F)CC1.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12
InChIInChI=1S/C27H27FN2O2.C23H31FN2O2.C21H29FN2O2.C20H25FN2O2.C20H27FN2O2.2C19H25FN2O2.C18H23FN2O2/c1-2-19-16-29-27(31)23-9-10-24(26(28)25(19)23)32-22-11-13-30(14-12-22)17-18-7-8-20-5-3-4-6-21(20)15-18;1-2-17-14-25-23(27)19-8-9-20(22(24)21(17)19)28-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16;1-4-15-13-23-21(25)18-11-19(22)20(12-17(15)18)26-16-6-9-24(10-7-16)8-5-14(2)3;1-2-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13-3-4-13;1-4-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13(2)3;1-4-13-11-21-19(23)16-9-17(20)18(10-15(13)16)24-14-5-7-22(8-6-14)12(2)3;1-3-7-22-8-5-14(6-9-22)24-18-11-15-13(4-2)12-21-19(23)16(15)10-17(18)20;1-3-12-11-20-18(22)15-9-16(19)17(10-14(12)15)23-13-5-7-21(4-2)8-6-13/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,29,31);8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,25,27);11-14,16H,4-10H2,1-3H3,(H,23,25);9-11,13,15H,2-8,12H2,1H3,(H,22,24);9-11,13,15H,4-8,12H2,1-3H3,(H,22,24);9-12,14H,4-8H2,1-3H3,(H,21,23);10-12,14H,3-9H2,1-2H3,(H,21,23);9-11,13H,3-8H2,1-2H3,(H,20,22)
InChIKeySWHFGCIRIWNAKO-UHFFFAOYSA-N
XLogP31.47
TPSA362.64 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds39
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002851.61
LogP ≤ 531.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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 with MolForge

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Launch Full Analysis

Related Compounds

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
4-ethyl-5-fluoro-6-[1-[(2-methylphenyl)methyl]piperidin-4-yl]oxy-2H-isoquinolin-1-one
CID 67743092
6-[1-(3,3-difluorobutyl)piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one
CID 67731944
6-[1-[(3-chloro-5-methylphenyl)methyl]piperidin-4-yl]oxy-4-ethyl-7-fluoro-2H-isoquinolin-1-one
CID 67731946
3-fluoro-4-[1-[(1-oxo-2H-isoquinolin-4-yl)methyl]piperidin-4-yl]oxybenzonitrile
CID 166265313
7-fluoro-6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162313711
1-[[5-formyl-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carbaldehyde
CID 144562283
ethyl 1-[[5-(difluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118340415
1-propan-2-yl-4-[2-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 142661887
4-[3-(2,5-dimethoxyphenyl)phenoxy]-1-(naphthalen-2-ylmethyl)piperidine
CID 24733680
ethane;ethyl 1-[[5-methyl-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 144562321
1-[cyclohexyl(methyl)amino]-3-[3-[(4-ethylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45211246

Frequently Asked Questions

What is the IUPAC name of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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?
The IUPAC name of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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 (CID 160955187) is 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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.
What is the SMILES notation for 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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?
The canonical SMILES for 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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 is CCCN1CCC(Oc2cc3c(CC)c[nH]c(=O)c3cc2F)CC1.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CC4CC4)CC3)cc12.CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(CCC(C)C)CC3)cc12.CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12.CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12.
What is the InChIKey of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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?
The InChIKey is SWHFGCIRIWNAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O2.C23H31FN2O2.C21H29FN2O2.C20H25FN2O2.C20H27FN2O2.2C19H25FN2O2.C18H23FN2O2/c1-2-19-16-29-27(31)23-9-10-24(26(28)25(19)23)32-22-11-13-30(14-12-22)17-18-7-8-20-5-3-4-6-21(20)15-18;1-2-17-14-25-23(27)19-8-9-20(22(24)21(17)19)28-18-10-12-26(13-11-18)15-16-6-4-3-5-7-16;1-4-15-13-23-21(25)18-11-19(22)20(12-17(15)18)26-16-6-9-24(10-7-16)8-5-14(2)3;1-2-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13-3-4-13;1-4-14-11-22-20(24)17-9-18(21)19(10-16(14)17)25-15-5-7-23(8-6-15)12-13(2)3;1-4-13-11-21-19(23)16-9-17(20)18(10-15(13)16)24-14-5-7-22(8-6-14)12(2)3;1-3-7-22-8-5-14(6-9-22)24-18-11-15-13(4-2)12-21-19(23)16(15)10-17(18)20;1-3-12-11-20-18(22)15-9-16(19)17(10-14(12)15)23-13-5-7-21(4-2)8-6-13/h3-10,15-16,22H,2,11-14,17H2,1H3,(H,29,31);8-9,14,16,18H,2-7,10-13,15H2,1H3,(H,25,27);11-14,16H,4-10H2,1-3H3,(H,23,25);9-11,13,15H,2-8,12H2,1H3,(H,22,24);9-11,13,15H,4-8,12H2,1-3H3,(H,22,24);9-12,14H,4-8H2,1-3H3,(H,21,23);10-12,14H,3-9H2,1-2H3,(H,21,23);9-11,13H,3-8H2,1-2H3,(H,20,22).
What are the key properties of 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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?
6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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 has a molecular weight of 2851.61 g/mol, XLogP of 31.47, 39 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-4-ethyl-5-fluoro-2H-isoquinolin-1-one;6-[1-(cyclopropylmethyl)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-5-fluoro-6-[1-(naphthalen-2-ylmethyl)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 is sourced from PubChem (CID 160955187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).