2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide

C21H24N2O2 — CID 4728264

IUPAC2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCCN1CCCCC1
InChIInChI=1S/C21H24N2O2/c24-20(22-10-13-23-11-4-1-5-12-23)14-17-15-25-19-9-8-16-6-2-3-7-18(16)21(17)19/h2-3,6-9,15H,1,4-5,10-14H2,(H,22,24)
InChIKeyVYRAJEVKDKAMCW-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.73
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide

2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 4728264) has the molecular formula C21H24N2O2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID4728264
Molecular FormulaC21H24N2O2
Molecular Weight336.43 g/mol
Exact Mass336.18
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)NCCN1CCCCC1
InChIInChI=1S/C21H24N2O2/c24-20(22-10-13-23-11-4-1-5-12-23)14-17-15-25-19-9-8-16-6-2-3-7-18(16)21(17)19/h2-3,6-9,15H,1,4-5,10-14H2,(H,22,24)
InChIKeyVYRAJEVKDKAMCW-UHFFFAOYSA-N
XLogP3.73
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531335
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-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzo[e][1]benzofuran-1-ylacetamide
CID 18860774
2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7964651
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
N-(1,3-benzodioxol-5-ylmethyl)-2-benzo[e][1]benzofuran-1-ylacetamide
CID 4728241
2-benzo[e][1]benzofuran-1-yl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4289889
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide (CID 4728264) is 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide is O=C(Cc1coc2ccc3ccccc3c12)NCCN1CCCCC1.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is VYRAJEVKDKAMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(22-10-13-23-11-4-1-5-12-23)14-17-15-25-19-9-8-16-6-2-3-7-18(16)21(17)19/h2-3,6-9,15H,1,4-5,10-14H2,(H,22,24).
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide?
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 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-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 4728264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).