2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

C20H28N2O2 — CID 119646903

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1
InChIInChI=1S/C20H28N2O2/c1-4-21-12-16-7-9-22(10-8-16)19(23)11-17-13-24-20-15(3)14(2)5-6-18(17)20/h5-6,13,16,21H,4,7-12H2,1-3H3
InChIKeyGUVDIQFDHCNHCJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.44
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 119646903) 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)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
PubChem CID119646903
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
SMILESCCNCC1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1
InChIInChI=1S/C20H28N2O2/c1-4-21-12-16-7-9-22(10-8-16)19(23)11-17-13-24-20-15(3)14(2)5-6-18(17)20/h5-6,13,16,21H,4,7-12H2,1-3H3
InChIKeyGUVDIQFDHCNHCJ-UHFFFAOYSA-N
XLogP3.44
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone 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-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone (CID 119646903) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is CCNCC1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is GUVDIQFDHCNHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-21-12-16-7-9-22(10-8-16)19(23)11-17-13-24-20-15(3)14(2)5-6-18(17)20/h5-6,13,16,21H,4,7-12H2,1-3H3.
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone?
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 328.46 g/mol, XLogP of 3.44, 5 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)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119646903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).