1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone

C17H23NO2 — CID 66362331

IUPAC1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC2Cc3cc(C)ccc3O2)C1
InChIInChI=1S/C17H23NO2/c1-12-5-6-17-15(8-12)9-16(20-17)11-18-7-3-4-14(10-18)13(2)19/h5-6,8,14,16H,3-4,7,9-11H2,1-2H3
InChIKeyKRPOLXNNUSVMAV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.60
Rot. Bonds3

About 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone

1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone (PubChem CID 66362331) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone
PubChem CID66362331
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(CC2Cc3cc(C)ccc3O2)C1
InChIInChI=1S/C17H23NO2/c1-12-5-6-17-15(8-12)9-16(20-17)11-18-7-3-4-14(10-18)13(2)19/h5-6,8,14,16H,3-4,7,9-11H2,1-2H3
InChIKeyKRPOLXNNUSVMAV-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-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 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone (CID 66362331) is 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone is CC(=O)C1CCCN(CC2Cc3cc(C)ccc3O2)C1.
What is the InChIKey of 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone?
The InChIKey is KRPOLXNNUSVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-5-6-17-15(8-12)9-16(20-17)11-18-7-3-4-14(10-18)13(2)19/h5-6,8,14,16H,3-4,7,9-11H2,1-2H3.
What are the key properties of 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone?
1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 66362331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).