1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone

C20H23NO4 — CID 16670055

IUPAC1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2C3CCC2CC(O)(c2ccco2)C3)cc1
InChIInChI=1S/C20H23NO4/c1-24-17-8-4-14(5-9-17)11-19(22)21-15-6-7-16(21)13-20(23,12-15)18-3-2-10-25-18/h2-5,8-10,15-16,23H,6-7,11-13H2,1H3
InChIKeyPIAALZNVOBEZDC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone

1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 16670055) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID16670055
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2C3CCC2CC(O)(c2ccco2)C3)cc1
InChIInChI=1S/C20H23NO4/c1-24-17-8-4-14(5-9-17)11-19(22)21-15-6-7-16(21)13-20(23,12-15)18-3-2-10-25-18/h2-5,8-10,15-16,23H,6-7,11-13H2,1H3
InChIKeyPIAALZNVOBEZDC-UHFFFAOYSA-N
XLogP2.87
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone with MolForge

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Related Compounds

1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methoxyphenyl)ethanone
CID 61234245
[(1S,5R)-3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxycyclohexyl)methanone
CID 98060341
9-[2-(4-methoxyphenyl)acetyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 134792842
1-(3,5-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 110292319
3-(4-methoxyphenyl)-1-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 95985961
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
1-[3-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-phenylethanone
CID 167908644
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
benzyl 7-hydroxy-7-(4-methoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171958407

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone (CID 16670055) is 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2C3CCC2CC(O)(c2ccco2)C3)cc1.
What is the InChIKey of 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is PIAALZNVOBEZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-17-8-4-14(5-9-17)11-19(22)21-15-6-7-16(21)13-20(23,12-15)18-3-2-10-25-18/h2-5,8-10,15-16,23H,6-7,11-13H2,1H3.
What are the key properties of 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone?
1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 16670055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).