1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone

C54H62Cl2N4O6 — CID 158351000

IUPAC1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(Oc1ccc(Cl)cc1)C2.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c12
InChIInChI=1S/2C27H31ClN2O3/c1-18(31)26-17-29(27-11-10-23(32-2)16-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-18(31)25-17-29(27-24(25)5-3-6-26(27)32-2)13-4-14-30-20-9-10-21(30)16-23(15-20)33-22-11-7-19(28)8-12-22/h4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1-2H3
InChIKeyGSHWZQXSHVPRFK-UHFFFAOYSA-N
MW934.02 g/mol
LogP11.94
Rot. Bonds16

About 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-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-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 158351000) has the molecular formula C54H62Cl2N4O6 and a molecular weight of 934.02 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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID158351000
Molecular FormulaC54H62Cl2N4O6
Molecular Weight934.02 g/mol
Exact Mass932.40
IUPAC Name1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(Oc1ccc(Cl)cc1)C2.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c12
InChIInChI=1S/2C27H31ClN2O3/c1-18(31)26-17-29(27-11-10-23(32-2)16-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-18(31)25-17-29(27-24(25)5-3-6-26(27)32-2)13-4-14-30-20-9-10-21(30)16-23(15-20)33-22-11-7-19(28)8-12-22/h4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1-2H3
InChIKeyGSHWZQXSHVPRFK-UHFFFAOYSA-N
XLogP11.94
TPSA87.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.02
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide
CID 58967737
1-[1-[3-[3-(4-Fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
CID 58967893
[1-[3-[3-(4-Fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
CID 58967934
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-[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-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]indol-3-yl]-3-methylbutan-1-one;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]pentan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-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;2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 161678659
[1-[(4-Chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-3-yl]-phenylmethanone
CID 19097372
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641346
1-[1-[3-[3-(4-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one
CID 23641349

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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 158351000) is 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(Oc1ccc(Cl)cc1)C2.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c12.
What is the InChIKey of 1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is GSHWZQXSHVPRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H31ClN2O3/c1-18(31)26-17-29(27-11-10-23(32-2)16-25(26)27)12-3-13-30-20-6-7-21(30)15-24(14-20)33-22-8-4-19(28)5-9-22;1-18(31)25-17-29(27-24(25)5-3-6-26(27)32-2)13-4-14-30-20-9-10-21(30)16-23(15-20)33-22-11-7-19(28)8-12-22/h4-5,8-11,16-17,20-21,24H,3,6-7,12-15H2,1-2H3;3,5-8,11-12,17,20-21,23H,4,9-10,13-16H2,1-2H3.
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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-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-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 934.02 g/mol, XLogP of 11.94, 16 rotatable bonds, 0 hydrogen bond donors, and 10 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]ethanone;1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 158351000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).