4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one

C17H23NO2 — CID 116559956

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CC1CCNCC1
InChIInChI=1S/C17H23NO2/c19-16(12-14-5-8-18-9-6-14)3-1-13-2-4-17-15(11-13)7-10-20-17/h2,4,11,14,18H,1,3,5-10,12H2
InChIKeyYJLYPCYHKXWUNG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.51
Rot. Bonds5

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one

4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one (PubChem CID 116559956) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
PubChem CID116559956
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
SMILESO=C(CCc1ccc2c(c1)CCO2)CC1CCNCC1
InChIInChI=1S/C17H23NO2/c19-16(12-14-5-8-18-9-6-14)3-1-13-2-4-17-15(11-13)7-10-20-17/h2,4,11,14,18H,1,3,5-10,12H2
InChIKeyYJLYPCYHKXWUNG-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethoxycyclobutyl)butan-2-one
CID 103167866
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
1-(4-aminopiperidin-1-yl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 116593300
5-(2,3-dihydro-1-benzofuran-5-yl)-1,1,1-trifluoropentan-3-one
CID 65446247
1-(4-aminocyclohexyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 116557379
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(oxolan-2-yl)pentan-3-one
CID 114974276
2-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79704796
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(ethylamino)hexan-3-one
CID 116566776
3-[3-oxo-6-(3-oxo-4-piperidin-4-ylbutyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157417457
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one (CID 116559956) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one is O=C(CCc1ccc2c(c1)CCO2)CC1CCNCC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one?
The InChIKey is YJLYPCYHKXWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16(12-14-5-8-18-9-6-14)3-1-13-2-4-17-15(11-13)7-10-20-17/h2,4,11,14,18H,1,3,5-10,12H2.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one is sourced from PubChem (CID 116559956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).