1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

C24H25NO2 — CID 171945822

IUPAC1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(22-16-27-23-12-5-4-11-21(22)23)18-13-19-9-6-10-20(14-18)25(19)15-17-7-2-1-3-8-17/h1-5,7-8,11-12,16,18-20H,6,9-10,13-15H2
InChIKeyPTWFPJCOYZYHMO-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.45
Rot. Bonds4

About 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone

1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (PubChem CID 171945822) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
PubChem CID171945822
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
SMILESO=C(c1coc2ccccc12)C1CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C24H25NO2/c26-24(22-16-27-23-12-5-4-11-21(22)23)18-13-19-9-6-10-20(14-18)25(19)15-17-7-2-1-3-8-17/h1-5,7-8,11-12,16,18-20H,6,9-10,13-15H2
InChIKeyPTWFPJCOYZYHMO-UHFFFAOYSA-N
XLogP5.45
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1,2-oxazol-4-yl)methanone
CID 171938730
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-pyrimidin-2-ylmethanone
CID 171937587
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2,4-dimethylphenyl)methanone
CID 171944441
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 171940283
1-benzofuran-3-yl(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171945816
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947798
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 171949521
2-(9-benzyl-9-azabicyclo[3.3.1]nonane-3-carbonyl)-4,5-difluorobenzonitrile
CID 171939834
1-adamantyl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941569
2-(8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171943623
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,6-difluoro-3-pyridinyl)methanone
CID 171943598

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The IUPAC name of 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone (CID 171945822) is 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone.
What is the SMILES notation for 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The canonical SMILES for 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is O=C(c1coc2ccccc12)C1CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
The InChIKey is PTWFPJCOYZYHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c26-24(22-16-27-23-12-5-4-11-21(22)23)18-13-19-9-6-10-20(14-18)25(19)15-17-7-2-1-3-8-17/h1-5,7-8,11-12,16,18-20H,6,9-10,13-15H2.
What are the key properties of 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone?
1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone is sourced from PubChem (CID 171945822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).