2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C16H20N2O3 — CID 169114422

IUPAC2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCC1CCC(c2cccc3c2CCO3)N(C(=O)C(N)=O)C1
InChIInChI=1S/C16H20N2O3/c1-10-5-6-13(18(9-10)16(20)15(17)19)11-3-2-4-14-12(11)7-8-21-14/h2-4,10,13H,5-9H2,1H3,(H2,17,19)
InChIKeyMGRRRHARNNEVGX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.41
Rot. Bonds1

About 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114422) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114422
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCC1CCC(c2cccc3c2CCO3)N(C(=O)C(N)=O)C1
InChIInChI=1S/C16H20N2O3/c1-10-5-6-13(18(9-10)16(20)15(17)19)11-3-2-4-14-12(11)7-8-21-14/h2-4,10,13H,5-9H2,1H3,(H2,17,19)
InChIKeyMGRRRHARNNEVGX-UHFFFAOYSA-N
XLogP1.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169114422) is 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is CC1CCC(c2cccc3c2CCO3)N(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is MGRRRHARNNEVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-5-6-13(18(9-10)16(20)15(17)19)11-3-2-4-14-12(11)7-8-21-14/h2-4,10,13H,5-9H2,1H3,(H2,17,19).
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 288.35 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).