1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one

C17H23NO2 — CID 104542313

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2c(c1)CCO2)N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,18-9-4-3-5-10-18)16(19)14-6-7-15-13(12-14)8-11-20-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyYROXKIDNCZYKHP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.07
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one (PubChem CID 104542313) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
PubChem CID104542313
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc2c(c1)CCO2)N1CCCCC1
InChIInChI=1S/C17H23NO2/c1-17(2,18-9-4-3-5-10-18)16(19)14-6-7-15-13(12-14)8-11-20-15/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyYROXKIDNCZYKHP-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879385
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
1-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-2-methylpropan-1-one
CID 116920405
3-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 116918114
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 19879459
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethylbutan-1-one
CID 116592719
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
3-(azepan-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-one;hydrochloride
CID 70496467
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one (CID 104542313) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one is CC(C)(C(=O)c1ccc2c(c1)CCO2)N1CCCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
The InChIKey is YROXKIDNCZYKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,18-9-4-3-5-10-18)16(19)14-6-7-15-13(12-14)8-11-20-15/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one has a molecular weight of 273.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 104542313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).