2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane

C18H20N2O — CID 11623305

IUPAC2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane
SMILESc1ccc(Oc2cncc(C3CC4(CCCN4)C3)c2)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-16(6-3-1)21-17-9-14(12-19-13-17)15-10-18(11-15)7-4-8-20-18/h1-3,5-6,9,12-13,15,20H,4,7-8,10-11H2
InChIKeyYGWTYZPVOKLSQV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.87
Rot. Bonds3

About 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane

2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane (PubChem CID 11623305) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane
PubChem CID11623305
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane
SMILESc1ccc(Oc2cncc(C3CC4(CCCN4)C3)c2)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-16(6-3-1)21-17-9-14(12-19-13-17)15-10-18(11-15)7-4-8-20-18/h1-3,5-6,9,12-13,15,20H,4,7-8,10-11H2
InChIKeyYGWTYZPVOKLSQV-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341404
8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane
CID 57485584
3-[2-(2-methylazetidin-2-yl)ethenyl]-5-phenoxypyridine
CID 139948521
3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine
CID 58191778
3-(4-fluorophenoxy)-5-piperidin-2-ylpyridine
CID 143912807
3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
(3S)-3-phenyl-1-azaspiro[4.5]decane
CID 129366123
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486305
(2R)-2-(3-phenoxyphenyl)azetidine
CID 171197153
2-pyrimidin-5-yl-4-azaspiro[2.4]heptane
CID 68652937
6-phenyl-4-azaspiro[2.4]heptane
CID 68626845

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane?
The IUPAC name of 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane (CID 11623305) is 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane.
What is the SMILES notation for 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane?
The canonical SMILES for 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane is c1ccc(Oc2cncc(C3CC4(CCCN4)C3)c2)cc1.
What is the InChIKey of 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane?
The InChIKey is YGWTYZPVOKLSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-5-16(6-3-1)21-17-9-14(12-19-13-17)15-10-18(11-15)7-4-8-20-18/h1-3,5-6,9,12-13,15,20H,4,7-8,10-11H2.
What are the key properties of 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane?
2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane has a molecular weight of 280.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane is sourced from PubChem (CID 11623305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).