1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one

C84H99Cl2FN6O8 — CID 159322775

IUPAC1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCCN2C3CCC2CC(O)(c2ccc(F)cc2)C3)c2ccccc12.CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1
InChIInChI=1S/C30H37ClN2O3.C27H31ClN2O3.C27H31FN2O2/c1-3-4-6-30(34)28-20-32(29-14-13-25(35-2)19-27(28)29)15-5-16-33-22-9-10-23(33)18-26(17-22)36-24-11-7-21(31)8-12-24;1-18(31)26-17-29(27-16-23(32-2)10-11-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-2-26(31)24-18-29(25-7-4-3-6-23(24)25)14-5-15-30-21-12-13-22(30)17-27(32,16-21)19-8-10-20(28)11-9-19/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3-4,6-11,18,21-22,32H,2,5,12-17H2,1H3
InChIKeyLDYZXEZAGLETGP-UHFFFAOYSA-N
MW1410.65 g/mol
LogP18.39
Rot. Bonds26

About 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one

1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one (PubChem CID 159322775) has the molecular formula C84H99Cl2FN6O8 and a molecular weight of 1410.65 g/mol. Its IUPAC name is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one
PubChem CID159322775
Molecular FormulaC84H99Cl2FN6O8
Molecular Weight1410.65 g/mol
Exact Mass1408.69
IUPAC Name1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one
SMILESCCC(=O)c1cn(CCCN2C3CCC2CC(O)(c2ccc(F)cc2)C3)c2ccccc12.CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1
InChIInChI=1S/C30H37ClN2O3.C27H31ClN2O3.C27H31FN2O2/c1-3-4-6-30(34)28-20-32(29-14-13-25(35-2)19-27(28)29)15-5-16-33-22-9-10-23(33)18-26(17-22)36-24-11-7-21(31)8-12-24;1-18(31)26-17-29(27-16-23(32-2)10-11-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-2-26(31)24-18-29(25-7-4-3-6-23(24)25)14-5-15-30-21-12-13-22(30)17-27(32,16-21)19-8-10-20(28)11-9-19/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3-4,6-11,18,21-22,32H,2,5,12-17H2,1H3
InChIKeyLDYZXEZAGLETGP-UHFFFAOYSA-N
XLogP18.39
TPSA132.87 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001410.65
LogP ≤ 518.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one with MolForge

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Related Compounds

1-[1-[3-(4-Benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;4-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]butan-2-one;1-[6-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[2-(4-propoxypiperidin-1-yl)ethyl]indol-3-yl]ethanone
CID 158927298
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;2,2,2-trifluoro-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 159056474
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[3-(2-methoxyethyl)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[2-methyl-3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 159131309
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 159658562
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[5-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[4-[4-(2-methoxyphenyl)piperidin-1-yl]butyl]indol-3-yl]ethanone;1-[1-[4-[4-(1-phenylethyl)piperazin-1-yl]butyl]indol-3-yl]ethanone;4-[1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]butan-2-one
CID 159861540
1-[1-[3-[3-(Cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 160100859
1-[1-[3-(4-Benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-(4-benzylpiperidin-1-yl)-2-methylpropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone
CID 160723336
1-[5-Bromo-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[5-methoxy-1-[3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]pentan-1-one;1-[6-methoxy-1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 160863271
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 161081428
1-[1-[3-(4-Butylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 161165188
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[6-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161285548

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one?
The IUPAC name of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one (CID 159322775) is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one.
What is the SMILES notation for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one?
The canonical SMILES for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one is CCC(=O)c1cn(CCCN2C3CCC2CC(O)(c2ccc(F)cc2)C3)c2ccccc12.CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1.
What is the InChIKey of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one?
The InChIKey is LDYZXEZAGLETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN2O3.C27H31ClN2O3.C27H31FN2O2/c1-3-4-6-30(34)28-20-32(29-14-13-25(35-2)19-27(28)29)15-5-16-33-22-9-10-23(33)18-26(17-22)36-24-11-7-21(31)8-12-24;1-18(31)26-17-29(27-16-23(32-2)10-11-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-2-26(31)24-18-29(25-7-4-3-6-23(24)25)14-5-15-30-21-12-13-22(30)17-27(32,16-21)19-8-10-20(28)11-9-19/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3-4,6-11,18,21-22,32H,2,5,12-17H2,1H3.
What are the key properties of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one?
1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one has a molecular weight of 1410.65 g/mol, XLogP of 18.39, 26 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[3-(4-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one is sourced from PubChem (CID 159322775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).