(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

C21H25N3O — CID 69341404

IUPAC(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
SMILESc1ccc(Oc2cncc(C3C4CCN(CC4)[C@]34CCNC4)c2)cc1
InChIInChI=1S/C21H25N3O/c1-2-4-18(5-3-1)25-19-12-17(13-23-14-19)20-16-6-10-24(11-7-16)21(20)8-9-22-15-21/h1-5,12-14,16,20,22H,6-11,15H2/t20?,21-/m0/s1
InChIKeyUQGBZMILVDXQEU-LBAQZLPGSA-N
MW335.45 g/mol
LogP3.42
Rot. Bonds3

About (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]

(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] (PubChem CID 69341404) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine].

Molecular Properties

Compound Name(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
PubChem CID69341404
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
SMILESc1ccc(Oc2cncc(C3C4CCN(CC4)[C@]34CCNC4)c2)cc1
InChIInChI=1S/C21H25N3O/c1-2-4-18(5-3-1)25-19-12-17(13-23-14-19)20-16-6-10-24(11-7-16)21(20)8-9-22-15-21/h1-5,12-14,16,20,22H,6-11,15H2/t20?,21-/m0/s1
InChIKeyUQGBZMILVDXQEU-LBAQZLPGSA-N
XLogP3.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]
CID 69341514
3-pyridin-3-ylspiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine];dihydrochloride
CID 69341513
(2R)-3-pyridazin-3-ylspiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]
CID 69341568
8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane
CID 57485584
2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane
CID 11623305
3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
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
(2R)-2-(3-phenoxyphenyl)azetidine
CID 171197153
3-[5-(4-chlorophenoxy)-3-pyridinyl]-1-cyclopropyl-1,4-diazepane
CID 173123664

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The IUPAC name of (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] (CID 69341404) is (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine].
What is the SMILES notation for (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The canonical SMILES for (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] is c1ccc(Oc2cncc(C3C4CCN(CC4)[C@]34CCNC4)c2)cc1.
What is the InChIKey of (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
The InChIKey is UQGBZMILVDXQEU-LBAQZLPGSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-4-18(5-3-1)25-19-12-17(13-23-14-19)20-16-6-10-24(11-7-16)21(20)8-9-22-15-21/h1-5,12-14,16,20,22H,6-11,15H2/t20?,21-/m0/s1.
What are the key properties of (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]?
(2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] has a molecular weight of 335.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-phenoxy-3-pyridinyl)spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine] is sourced from PubChem (CID 69341404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).