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

C17H22N2O3 — CID 121195431

IUPACoxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCCO1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C17H22N2O3/c20-17(15-4-3-9-21-15)19-12-6-7-13(19)11-14(10-12)22-16-5-1-2-8-18-16/h1-2,5,8,12-15H,3-4,6-7,9-11H2
InChIKeyJAWJMPXIQHNGML-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.16
Rot. Bonds3

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

oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121195431) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121195431
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameoxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(C1CCCO1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C17H22N2O3/c20-17(15-4-3-9-21-15)19-12-6-7-13(19)11-14(10-12)22-16-5-1-2-8-18-16/h1-2,5,8,12-15H,3-4,6-7,9-11H2
InChIKeyJAWJMPXIQHNGML-UHFFFAOYSA-N
XLogP2.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
[(1R,5R)-3-[4-(8-methylquinolin-7-yl)phenoxy]-8-azabicyclo[3.2.1]octan-8-yl]-[(2R)-oxolan-2-yl]methanone
CID 140759164
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195310
3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[(2S)-oxolan-2-yl]methanone
CID 103873635

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121195431) is oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(C1CCCO1)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is JAWJMPXIQHNGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-17(15-4-3-9-21-15)19-12-6-7-13(19)11-14(10-12)22-16-5-1-2-8-18-16/h1-2,5,8,12-15H,3-4,6-7,9-11H2.
What are the key properties of oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 302.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121195431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).