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

C21H20N2O3 — CID 121186348

IUPAC1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C21H20N2O3/c24-21(20-11-14-3-1-2-4-19(14)26-20)23-15-5-6-16(23)13-18(12-15)25-17-7-9-22-10-8-17/h1-4,7-11,15-16,18H,5-6,12-13H2
InChIKeyPGDBTNJOXXRQPX-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.04
Rot. Bonds3

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

1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121186348) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121186348
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C21H20N2O3/c24-21(20-11-14-3-1-2-4-19(14)26-20)23-15-5-6-16(23)13-18(12-15)25-17-7-9-22-10-8-17/h1-4,7-11,15-16,18H,5-6,12-13H2
InChIKeyPGDBTNJOXXRQPX-UHFFFAOYSA-N
XLogP4.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121186348) is 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1cc2ccccc2o1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is PGDBTNJOXXRQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-21(20-11-14-3-1-2-4-19(14)26-20)23-15-5-6-16(23)13-18(12-15)25-17-7-9-22-10-8-17/h1-4,7-11,15-16,18H,5-6,12-13H2.
What are the key properties of 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121186348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).