2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one

C16H21NO2 — CID 84612699

IUPAC2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one
SMILESCOc1ccc(CCN2CC3CCC2CC3=O)cc1
InChIInChI=1S/C16H21NO2/c1-19-15-6-2-12(3-7-15)8-9-17-11-13-4-5-14(17)10-16(13)18/h2-3,6-7,13-14H,4-5,8-11H2,1H3
InChIKeyVWWUZGBLSGJSAO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one

2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one (PubChem CID 84612699) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one
PubChem CID84612699
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one
SMILESCOc1ccc(CCN2CC3CCC2CC3=O)cc1
InChIInChI=1S/C16H21NO2/c1-19-15-6-2-12(3-7-15)8-9-17-11-13-4-5-14(17)10-16(13)18/h2-3,6-7,13-14H,4-5,8-11H2,1H3
InChIKeyVWWUZGBLSGJSAO-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one 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

1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidin-4-one
CID 54975474
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370835
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-1,4-diazepane
CID 65442279
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 78899671

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one (CID 84612699) is 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one is COc1ccc(CCN2CC3CCC2CC3=O)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one?
The InChIKey is VWWUZGBLSGJSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-15-6-2-12(3-7-15)8-9-17-11-13-4-5-14(17)10-16(13)18/h2-3,6-7,13-14H,4-5,8-11H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one?
2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one has a molecular weight of 259.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-2-azabicyclo[2.2.2]octan-5-one is sourced from PubChem (CID 84612699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).