1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide

C19H24FN3O2 — CID 126842469

IUPAC1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(CCF)c3ccccc13)C2
InChIInChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24)
InChIKeyJTEILSCRSQGWLI-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide

1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide (PubChem CID 126842469) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
PubChem CID126842469
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1cn(CCF)c3ccccc13)C2
InChIInChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24)
InChIKeyJTEILSCRSQGWLI-UHFFFAOYSA-N
XLogP2.20
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide (CID 126842469) is 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide is CN1C2COCC1CC(NC(=O)c1cn(CCF)c3ccccc13)C2.
What is the InChIKey of 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
The InChIKey is JTEILSCRSQGWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22-14-8-13(9-15(22)12-25-11-14)21-19(24)17-10-23(7-6-20)18-5-3-2-4-16(17)18/h2-5,10,13-15H,6-9,11-12H2,1H3,(H,21,24).
What are the key properties of 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide?
1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indole-3-carboxamide is sourced from PubChem (CID 126842469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).