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

C51H64ClF3N4O5 — CID 159056474

IUPAC1-[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
SMILESCCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
InChIInChI=1S/C30H37ClN2O3.C21H27F3N2O2/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;1-2-14-28-16-8-12-25(13-9-16)10-5-11-26-15-18(20(27)21(22,23)24)17-6-3-4-7-19(17)26/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;3-4,6-7,15-16H,2,5,8-14H2,1H3
InChIKeyJXXPFWUFYQOZAL-UHFFFAOYSA-N
MW905.54 g/mol
LogP11.81
Rot. Bonds19

About 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

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 (PubChem CID 159056474) has the molecular formula C51H64ClF3N4O5 and a molecular weight of 905.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159056474
Molecular FormulaC51H64ClF3N4O5
Molecular Weight905.54 g/mol
Exact Mass904.45
IUPAC Name1-[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
SMILESCCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1
InChIInChI=1S/C30H37ClN2O3.C21H27F3N2O2/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;1-2-14-28-16-8-12-25(13-9-16)10-5-11-26-15-18(20(27)21(22,23)24)17-6-3-4-7-19(17)26/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;3-4,6-7,15-16H,2,5,8-14H2,1H3
InChIKeyJXXPFWUFYQOZAL-UHFFFAOYSA-N
XLogP11.81
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.54
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[3-[4-(4-Fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641347
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641726
1-[1-[3-[4-(4-Fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone
CID 58967558
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 58967734
5-(7-Chloroquinolin-4-yloxy)-2-ethoxycarbonylmethyl-1-(4-trifluoromethoxy phenyl)indole-3-carboxylic acid ethyl ester
CID 66657613
[1-[(4-Chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methanone
CID 67244490
(2S,4R)-1-[2-(3-acetyl-5-benzyloxy-indol-1-yl)-acetyl]-4-fluoro-4-methyl-pyrrolidine-2-carboxylic acid 3-chloro-2-fluoro-benzylamide
CID 68283737
[1-Butyl-5-(4-fluorophenoxy)indol-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 85470273
[1-Butyl-5-(4-fluorophenoxy)indol-3-yl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 85470274
2-[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide;2-[1-[(4-chlorophenyl)methyl]-5-hydroxy-2-(trifluoromethyl)indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
CID 87660444
1-[2-[(2S,4R)-2-[(3-chlorophenyl)methyl-fluorocarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-phenylmethoxyindole-3-carboxamide
CID 89183913
[4-[5-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]indol-1-yl]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 140157680

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(Cl)cc2)C3)c2ccc(OC)cc12.CCCOC1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.
What is the InChIKey of 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?
The InChIKey is JXXPFWUFYQOZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37ClN2O3.C21H27F3N2O2/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;1-2-14-28-16-8-12-25(13-9-16)10-5-11-26-15-18(20(27)21(22,23)24)17-6-3-4-7-19(17)26/h7-8,11-14,19-20,22-23,26H,3-6,9-10,15-18H2,1-2H3;3-4,6-7,15-16H,2,5,8-14H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 905.54 g/mol, XLogP of 11.81, 19 rotatable bonds, 0 hydrogen bond donors, and 9 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]-5-methoxyindol-3-yl]pentan-1-one;2,2,2-trifluoro-1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 159056474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).