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

C25H34N2O3 — CID 23642148

IUPAC1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(OCC3CC3)C4)c12
InChIInChI=1S/C25H34N2O3/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/h3,5-6,15,18-21H,4,7-14,16H2,1-2H3
InChIKeyCKJRJFGJMHDUAK-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.66
Rot. Bonds9

About 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]-7-methoxyindol-3-yl]ethanone (PubChem CID 23642148) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 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]-7-methoxyindol-3-yl]ethanone
PubChem CID23642148
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone
SMILESCOc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(OCC3CC3)C4)c12
InChIInChI=1S/C25H34N2O3/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/h3,5-6,15,18-21H,4,7-14,16H2,1-2H3
InChIKeyCKJRJFGJMHDUAK-UHFFFAOYSA-N
XLogP4.66
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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]-7-methoxyindol-3-yl]ethanone (CID 23642148) is 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]-7-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]ethanone is 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]-7-methoxyindol-3-yl]ethanone?
The InChIKey is CKJRJFGJMHDUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/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/h3,5-6,15,18-21H,4,7-14,16H2,1-2H3.
What are the key properties of 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]-7-methoxyindol-3-yl]ethanone has a molecular weight of 410.56 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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]-7-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 23642148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).