1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C14H18N2O2 — CID 119103429

IUPAC1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC(=O)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C14H18N2O2/c1-10(17)16-11-5-6-12(16)9-13(8-11)18-14-4-2-3-7-15-14/h2-4,7,11-13H,5-6,8-9H2,1H3
InChIKeyDQSKZZWUUPBVAU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds2

About 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 119103429) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID119103429
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCC(=O)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C14H18N2O2/c1-10(17)16-11-5-6-12(16)9-13(8-11)18-14-4-2-3-7-15-14/h2-4,7,11-13H,5-6,8-9H2,1H3
InChIKeyDQSKZZWUUPBVAU-UHFFFAOYSA-N
XLogP2.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 119103429) is 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is CC(=O)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is DQSKZZWUUPBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)16-11-5-6-12(16)9-13(8-11)18-14-4-2-3-7-15-14/h2-4,7,11-13H,5-6,8-9H2,1H3.
What are the key properties of 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 119103429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).