1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone

C103H111BrCl3F5N8O10S — CID 158820463

IUPAC1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(F)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C29H33FN2O3.C26H28ClFN2O2.C24H26BrClN2O2.C24H24ClF3N2O3S/c1-34-27-5-2-4-25-26(29(33)19-6-7-19)18-31(28(25)27)14-3-15-32-21-10-11-22(32)17-24(16-21)35-23-12-8-20(30)9-13-23;1-17(31)24-16-29(26-23(24)4-2-5-25(26)27)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(28)7-11-21;1-17(29)22-16-28(24-21(22)7-3-8-23(24)25)12-4-11-27-13-9-19(10-14-27)30-20-6-2-5-18(26)15-20;25-17-6-8-18(9-7-17)34(32,33)19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30/h2,4-5,8-9,12-13,18-19,21-22,24H,3,6-7,10-11,14-17H2,1H3;2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;1-2,4-9,16,19H,3,10-15H2
InChIKeyIVUNMYNAMZRYBW-UHFFFAOYSA-N
MW1934.39 g/mol
LogP23.51
Rot. Bonds30

About 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone

1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone (PubChem CID 158820463) has the molecular formula C103H111BrCl3F5N8O10S and a molecular weight of 1934.39 g/mol. Its IUPAC name is 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone.

Molecular Properties

Compound Name1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone
PubChem CID158820463
Molecular FormulaC103H111BrCl3F5N8O10S
Molecular Weight1934.39 g/mol
Exact Mass1930.63
IUPAC Name1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(F)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C29H33FN2O3.C26H28ClFN2O2.C24H26BrClN2O2.C24H24ClF3N2O3S/c1-34-27-5-2-4-25-26(29(33)19-6-7-19)18-31(28(25)27)14-3-15-32-21-10-11-22(32)17-24(16-21)35-23-12-8-20(30)9-13-23;1-17(31)24-16-29(26-23(24)4-2-5-25(26)27)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(28)7-11-21;1-17(29)22-16-28(24-21(22)7-3-8-23(24)25)12-4-11-27-13-9-19(10-14-27)30-20-6-2-5-18(26)15-20;25-17-6-8-18(9-7-17)34(32,33)19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30/h2,4-5,8-9,12-13,18-19,21-22,24H,3,6-7,10-11,14-17H2,1H3;2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;1-2,4-9,16,19H,3,10-15H2
InChIKeyIVUNMYNAMZRYBW-UHFFFAOYSA-N
XLogP23.51
TPSA172.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.39
LogP ≤ 523.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone with MolForge

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Related Compounds

1-[1-[3-(4-Benzoylpiperidin-1-yl)-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-bromoindol-3-yl]ethanone;1-[6-bromo-1-[3-[3-(4-chlorophenoxy)-8-bicyclo[3.2.1]octanyl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone;ethyl 1-[3-(3-propanoylindol-1-yl)propyl]piperidine-4-carboxylate
CID 158495057
1-[1-[3-[4-(1,3-Benzothiazol-2-yl)piperidin-1-yl]propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-bromoindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-7-chloroindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 159305150
1-[7-bromo-1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-bromo-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;N-[(3-chlorophenyl)methyl]-1-[3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carboxamide;N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[(1R,5S)-3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
CID 160060969

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone?
The IUPAC name of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone (CID 158820463) is 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone.
What is the SMILES notation for 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone?
The canonical SMILES for 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone is CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(F)cc2)C3)c2c(Cl)cccc12.CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12.O=C(c1cn(CCCN2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone?
The InChIKey is IVUNMYNAMZRYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O3.C26H28ClFN2O2.C24H26BrClN2O2.C24H24ClF3N2O3S/c1-34-27-5-2-4-25-26(29(33)19-6-7-19)18-31(28(25)27)14-3-15-32-21-10-11-22(32)17-24(16-21)35-23-12-8-20(30)9-13-23;1-17(31)24-16-29(26-23(24)4-2-5-25(26)27)12-3-13-30-19-8-9-20(30)15-22(14-19)32-21-10-6-18(28)7-11-21;1-17(29)22-16-28(24-21(22)7-3-8-23(24)25)12-4-11-27-13-9-19(10-14-27)30-20-6-2-5-18(26)15-20;25-17-6-8-18(9-7-17)34(32,33)19-10-14-29(15-11-19)12-3-13-30-16-21(23(31)24(26,27)28)20-4-1-2-5-22(20)30/h2,4-5,8-9,12-13,18-19,21-22,24H,3,6-7,10-11,14-17H2,1H3;2,4-7,10-11,16,19-20,22H,3,8-9,12-15H2,1H3;2-3,5-8,15-16,19H,4,9-14H2,1H3;1-2,4-9,16,19H,3,10-15H2.
What are the key properties of 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone?
1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone has a molecular weight of 1934.39 g/mol, XLogP of 23.51, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-bromo-1-[3-[4-(3-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone;cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone is sourced from PubChem (CID 158820463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).