1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone

C25H34N2O3 — CID 58967831

IUPAC1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(OCC1CC1)C2
InChIInChI=1S/C25H34N2O3/c1-17(28)24-15-26(25-9-8-21(29-2)14-23(24)25)10-3-11-27-19-6-7-20(27)13-22(12-19)30-16-18-4-5-18/h8-9,14-15,18-20,22H,3-7,10-13,16H2,1-2H3
InChIKeyJVEATMRJNPKUAK-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]-5-methoxyindol-3-yl]ethanone

1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone (PubChem CID 58967831) 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]-5-methoxyindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone
PubChem CID58967831
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]-5-methoxyindol-3-yl]ethanone
SMILESCOc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(OCC1CC1)C2
InChIInChI=1S/C25H34N2O3/c1-17(28)24-15-26(25-9-8-21(29-2)14-23(24)25)10-3-11-27-19-6-7-20(27)13-22(12-19)30-16-18-4-5-18/h8-9,14-15,18-20,22H,3-7,10-13,16H2,1-2H3
InChIKeyJVEATMRJNPKUAK-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]-5-methoxyindol-3-yl]ethanone?
The IUPAC name of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone (CID 58967831) is 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone is COc1ccc2c(c1)c(C(C)=O)cn2CCCN1C2CCC1CC(OCC1CC1)C2.
What is the InChIKey of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone?
The InChIKey is JVEATMRJNPKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-17(28)24-15-26(25-9-8-21(29-2)14-23(24)25)10-3-11-27-19-6-7-20(27)13-22(12-19)30-16-18-4-5-18/h8-9,14-15,18-20,22H,3-7,10-13,16H2,1-2H3.
What are the key properties of 1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-methoxyindol-3-yl]ethanone?
1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-5-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]-5-methoxyindol-3-yl]ethanone is sourced from PubChem (CID 58967831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).