2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C16H20N2O3 — CID 169113499

IUPAC2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2cccc3c2OCC3)N(C(=O)C(N)=O)C1
InChIInChI=1S/C16H20N2O3/c1-10-5-6-13(18(9-10)16(20)15(17)19)12-4-2-3-11-7-8-21-14(11)12/h2-4,10,13H,5-9H2,1H3,(H2,17,19)/t10-,13+/m0/s1
InChIKeyOOFTUZLBPKXRHM-GXFFZTMASA-N
MW288.35 g/mol
LogP1.41
Rot. Bonds1

About 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169113499) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169113499
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2cccc3c2OCC3)N(C(=O)C(N)=O)C1
InChIInChI=1S/C16H20N2O3/c1-10-5-6-13(18(9-10)16(20)15(17)19)12-4-2-3-11-7-8-21-14(11)12/h2-4,10,13H,5-9H2,1H3,(H2,17,19)/t10-,13+/m0/s1
InChIKeyOOFTUZLBPKXRHM-GXFFZTMASA-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'}

Analyze 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169113499) is 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2cccc3c2OCC3)N(C(=O)C(N)=O)C1.
What is the InChIKey of 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is OOFTUZLBPKXRHM-GXFFZTMASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-5-6-13(18(9-10)16(20)15(17)19)12-4-2-3-11-7-8-21-14(11)12/h2-4,10,13H,5-9H2,1H3,(H2,17,19)/t10-,13+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-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-[(2R,5S)-2-(2,3-dihydro-1-benzofuran-7-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).