2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone

C21H23NO2 — CID 4628724

IUPAC2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cc2coc3ccc4ccccc4c23)C1
InChIInChI=1S/C21H23NO2/c1-14-9-15(2)12-22(11-14)20(23)10-17-13-24-19-8-7-16-5-3-4-6-18(16)21(17)19/h3-8,13-15H,9-12H2,1-2H3
InChIKeyBNEFBVBTHDGBBL-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.63
Rot. Bonds2

About 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 4628724) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID4628724
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cc2coc3ccc4ccccc4c23)C1
InChIInChI=1S/C21H23NO2/c1-14-9-15(2)12-22(11-14)20(23)10-17-13-24-19-8-7-16-5-3-4-6-18(16)21(17)19/h3-8,13-15H,9-12H2,1-2H3
InChIKeyBNEFBVBTHDGBBL-UHFFFAOYSA-N
XLogP4.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022766
2-benzo[e][1]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 7974773
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572
2-benzo[e][1]benzofuran-1-yl-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506163
2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451880
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510653
2-benzo[e][1]benzofuran-1-yl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 18860776
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240
N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
CID 5132781
2-(3,5-dimethylpiperidine-1-carbonyl)benzo[f]chromen-3-one
CID 16645671

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 4628724) is 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)Cc2coc3ccc4ccccc4c23)C1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is BNEFBVBTHDGBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-14-9-15(2)12-22(11-14)20(23)10-17-13-24-19-8-7-16-5-3-4-6-18(16)21(17)19/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 4628724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).