(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate

C21H26N2O3 — CID 118436184

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1cn(C3CCOC3)c3ccccc13)C2
InChIInChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3
InChIKeyYECORENGOXWWDS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.38
Rot. Bonds3

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate (PubChem CID 118436184) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate
PubChem CID118436184
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1cn(C3CCOC3)c3ccccc13)C2
InChIInChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3
InChIKeyYECORENGOXWWDS-UHFFFAOYSA-N
XLogP3.38
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate (CID 118436184) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate is CN1C2CCC1CC(OC(=O)c1cn(C3CCOC3)c3ccccc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate?
The InChIKey is YECORENGOXWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-22-14-6-7-15(22)11-17(10-14)26-21(24)19-12-23(16-8-9-25-13-16)20-5-3-2-4-18(19)20/h2-5,12,14-17H,6-11,13H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(oxolan-3-yl)indole-3-carboxylate is sourced from PubChem (CID 118436184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).