2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C20H21ClN2O2 — CID 121185901

IUPAC2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C20H21ClN2O2/c21-15-5-3-14(4-6-15)10-20(24)23-16-7-8-17(23)12-19(11-16)25-18-2-1-9-22-13-18/h1-6,9,13,16-17,19H,7-8,10-12H2
InChIKeyJEUZRVJSGBVRSO-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 121185901) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID121185901
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C20H21ClN2O2/c21-15-5-3-14(4-6-15)10-20(24)23-16-7-8-17(23)12-19(11-16)25-18-2-1-9-22-13-18/h1-6,9,13,16-17,19H,7-8,10-12H2
InChIKeyJEUZRVJSGBVRSO-UHFFFAOYSA-N
XLogP3.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 121185901) is 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is JEUZRVJSGBVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-15-5-3-14(4-6-15)10-20(24)23-16-7-8-17(23)12-19(11-16)25-18-2-1-9-22-13-18/h1-6,9,13,16-17,19H,7-8,10-12H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 356.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 121185901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).