1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone

C18H20N2O2 — CID 10063161

IUPAC1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone
SMILESO=C(c1coc(-c2ccccc2)c1)N1CCN2CCC1CC2
InChIInChI=1S/C18H20N2O2/c21-18(20-11-10-19-8-6-16(20)7-9-19)15-12-17(22-13-15)14-4-2-1-3-5-14/h1-5,12-13,16H,6-11H2
InChIKeyYBRYSLNAJMICEX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.87
Rot. Bonds2

About 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone

1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone (PubChem CID 10063161) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone.

Molecular Properties

Compound Name1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone
PubChem CID10063161
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone
SMILESO=C(c1coc(-c2ccccc2)c1)N1CCN2CCC1CC2
InChIInChI=1S/C18H20N2O2/c21-18(20-11-10-19-8-6-16(20)7-9-19)15-12-17(22-13-15)14-4-2-1-3-5-14/h1-5,12-13,16H,6-11H2
InChIKeyYBRYSLNAJMICEX-UHFFFAOYSA-N
XLogP2.87
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone?
The IUPAC name of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone (CID 10063161) is 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone.
What is the SMILES notation for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone?
The canonical SMILES for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone is O=C(c1coc(-c2ccccc2)c1)N1CCN2CCC1CC2.
What is the InChIKey of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone?
The InChIKey is YBRYSLNAJMICEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(20-11-10-19-8-6-16(20)7-9-19)15-12-17(22-13-15)14-4-2-1-3-5-14/h1-5,12-13,16H,6-11H2.
What are the key properties of 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone?
1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazabicyclo[3.2.2]nonan-4-yl-(5-phenylfuran-3-yl)methanone is sourced from PubChem (CID 10063161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).