2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C20H28N2O2 — CID 17466272

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCN(C(C)C)CC3)coc2c1C
InChIInChI=1S/C20H28N2O2/c1-13(2)22-9-7-17(8-10-22)21-19(23)11-16-12-24-20-15(4)14(3)5-6-18(16)20/h5-6,12-13,17H,7-11H2,1-4H3,(H,21,23)
InChIKeyLGXRMUKOADNFEL-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.58
Rot. Bonds4

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 17466272) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID17466272
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC3CCN(C(C)C)CC3)coc2c1C
InChIInChI=1S/C20H28N2O2/c1-13(2)22-9-7-17(8-10-22)21-19(23)11-16-12-24-20-15(4)14(3)5-6-18(16)20/h5-6,12-13,17H,7-11H2,1-4H3,(H,21,23)
InChIKeyLGXRMUKOADNFEL-UHFFFAOYSA-N
XLogP3.58
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617827
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120598292
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 112761443
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 17466272) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is Cc1ccc2c(CC(=O)NC3CCN(C(C)C)CC3)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is LGXRMUKOADNFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13(2)22-9-7-17(8-10-22)21-19(23)11-16-12-24-20-15(4)14(3)5-6-18(16)20/h5-6,12-13,17H,7-11H2,1-4H3,(H,21,23).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 17466272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).