1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone

C74H100N6O7 — CID 159573542

IUPAC1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CCC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(OCC3CC3)C4)c12
InChIInChI=1S/C25H34N2O3.C25H34N2O2.C24H32N2O2/c1-17(28)23-15-26(25-22(23)5-3-6-24(25)29-2)11-4-12-27-19-9-10-20(27)14-21(13-19)30-16-18-7-8-18;1-2-25(28)23-16-26(24-7-4-3-6-22(23)24)12-5-13-27-19-10-11-20(27)15-21(14-19)29-17-18-8-9-18;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18/h3,5-6,15,18-21H,4,7-14,16H2,1-2H3;3-4,6-7,16,18-21H,2,5,8-15,17H2,1H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3
InChIKeyMICRYKYVNVZLSZ-UHFFFAOYSA-N
MW1185.65 g/mol
LogP14.37
Rot. Bonds26

About 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone

1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone (PubChem CID 159573542) has the molecular formula C74H100N6O7 and a molecular weight of 1185.65 g/mol. Its IUPAC name is 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
PubChem CID159573542
Molecular FormulaC74H100N6O7
Molecular Weight1185.65 g/mol
Exact Mass1184.77
IUPAC Name1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CCC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(OCC3CC3)C4)c12
InChIInChI=1S/C25H34N2O3.C25H34N2O2.C24H32N2O2/c1-17(28)23-15-26(25-22(23)5-3-6-24(25)29-2)11-4-12-27-19-9-10-20(27)14-21(13-19)30-16-18-7-8-18;1-2-25(28)23-16-26(24-7-4-3-6-22(23)24)12-5-13-27-19-10-11-20(27)15-21(14-19)29-17-18-8-9-18;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18/h3,5-6,15,18-21H,4,7-14,16H2,1-2H3;3-4,6-7,16,18-21H,2,5,8-15,17H2,1H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3
InChIKeyMICRYKYVNVZLSZ-UHFFFAOYSA-N
XLogP14.37
TPSA112.64 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.65
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone with MolForge

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Related Compounds

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-Fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-7-methoxyindol-3-yl]ethanone
CID 58968070
Cyclopropyl-[1-[3-[3-(4-fluorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone
CID 58968130
1-[7-Methoxy-1-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2-phenylethanone
CID 159976781
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
[2-Methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone;[2-methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-5-ylmethanone
CID 23043682
[2-Methyl-11-(morpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-quinolin-4-ylmethanone
CID 23043684
1-[1-[3-[3-(Cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 23642148
Cyclopropyl-[7-methoxy-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indol-3-yl]methanone
CID 58967556
1-[7-Methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2-phenylethanone
CID 58967608
2-[8-[3-[3-(Cyclopropanecarbonyl)-7-methoxyindol-1-yl]propyl]-8-azabicyclo[3.2.1]octan-3-yl]-1-phenylethanone
CID 58967708

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone (CID 159573542) is 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is CC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.CCC(=O)c1cn(CCCN2C3CCC2CC(OCC2CC2)C3)c2ccccc12.COc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(OCC3CC3)C4)c12.
What is the InChIKey of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
The InChIKey is MICRYKYVNVZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3.C25H34N2O2.C24H32N2O2/c1-17(28)23-15-26(25-22(23)5-3-6-24(25)29-2)11-4-12-27-19-9-10-20(27)14-21(13-19)30-16-18-7-8-18;1-2-25(28)23-16-26(24-7-4-3-6-22(23)24)12-5-13-27-19-10-11-20(27)15-21(14-19)29-17-18-8-9-18;1-17(27)23-15-25(24-6-3-2-5-22(23)24)11-4-12-26-19-9-10-20(26)14-21(13-19)28-16-18-7-8-18/h3,5-6,15,18-21H,4,7-14,16H2,1-2H3;3-4,6-7,16,18-21H,2,5,8-15,17H2,1H3;2-3,5-6,15,18-21H,4,7-14,16H2,1H3.
What are the key properties of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone?
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone has a molecular weight of 1185.65 g/mol, XLogP of 14.37, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]propan-1-one;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 159573542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).