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

C18H24N2O3 — CID 121195554

IUPACoxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCOCC1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C18H24N2O3/c21-18(13-6-9-22-10-7-13)20-14-4-5-15(20)12-16(11-14)23-17-3-1-2-8-19-17/h1-3,8,13-16H,4-7,9-12H2
InChIKeyBEDJAFHLPRQCAF-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.41
Rot. Bonds3

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

oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121195554) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121195554
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nameoxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCOCC1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C18H24N2O3/c21-18(13-6-9-22-10-7-13)20-14-4-5-15(20)12-16(11-14)23-17-3-1-2-8-19-17/h1-3,8,13-16H,4-7,9-12H2
InChIKeyBEDJAFHLPRQCAF-UHFFFAOYSA-N
XLogP2.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121195554) is oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(C1CCOCC1)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is BEDJAFHLPRQCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18(13-6-9-22-10-7-13)20-14-4-5-15(20)12-16(11-14)23-17-3-1-2-8-19-17/h1-3,8,13-16H,4-7,9-12H2.
What are the key properties of oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121195554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).