2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

C21H24N2O2 — CID 18872572

IUPAC2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cc2coc3ccc4ccccc4c23)CC1
InChIInChI=1S/C21H24N2O2/c1-22-11-9-17(10-12-22)23(2)20(24)13-16-14-25-19-8-7-15-5-3-4-6-18(15)21(16)19/h3-8,14,17H,9-13H2,1-2H3
InChIKeyFPDBMLNGPWBOSJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.68
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 18872572) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID18872572
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(N(C)C(=O)Cc2coc3ccc4ccccc4c23)CC1
InChIInChI=1S/C21H24N2O2/c1-22-11-9-17(10-12-22)23(2)20(24)13-16-14-25-19-8-7-15-5-3-4-6-18(15)21(16)19/h3-8,14,17H,9-13H2,1-2H3
InChIKeyFPDBMLNGPWBOSJ-UHFFFAOYSA-N
XLogP3.68
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-methyl-1-benzofuran-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 18872342
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-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 18230580
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154858
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
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

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide (CID 18872572) is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(N(C)C(=O)Cc2coc3ccc4ccccc4c23)CC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is FPDBMLNGPWBOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-22-11-9-17(10-12-22)23(2)20(24)13-16-14-25-19-8-7-15-5-3-4-6-18(15)21(16)19/h3-8,14,17H,9-13H2,1-2H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 18872572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).