1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone

C14H18N2O2 — CID 171945206

IUPAC1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CC2COCC(C1)N2
InChIInChI=1S/C14H18N2O2/c17-14(5-10-1-3-15-4-2-10)11-6-12-8-18-9-13(7-11)16-12/h1-4,11-13,16H,5-9H2
InChIKeyUBGMQIIGBIZFJD-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.96
Rot. Bonds3

About 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone

1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone (PubChem CID 171945206) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone
PubChem CID171945206
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone
SMILESO=C(Cc1ccncc1)C1CC2COCC(C1)N2
InChIInChI=1S/C14H18N2O2/c17-14(5-10-1-3-15-4-2-10)11-6-12-8-18-9-13(7-11)16-12/h1-4,11-13,16H,5-9H2
InChIKeyUBGMQIIGBIZFJD-UHFFFAOYSA-N
XLogP0.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone 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 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone (CID 171945206) is 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone is O=C(Cc1ccncc1)C1CC2COCC(C1)N2.
What is the InChIKey of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone?
The InChIKey is UBGMQIIGBIZFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(5-10-1-3-15-4-2-10)11-6-12-8-18-9-13(7-11)16-12/h1-4,11-13,16H,5-9H2.
What are the key properties of 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone?
1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone has a molecular weight of 246.31 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 171945206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).