2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone

C13H16N2O2 — CID 83895167

IUPAC2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
SMILESO=C(c1cccc2c1OCC2)N1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-13(15-7-5-14-6-8-15)11-3-1-2-10-4-9-17-12(10)11/h1-3,14H,4-9H2
InChIKeyWXHREWPLLUKVIB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.67
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone

2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone (PubChem CID 83895167) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
PubChem CID83895167
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone
SMILESO=C(c1cccc2c1OCC2)N1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-13(15-7-5-14-6-8-15)11-3-1-2-10-4-9-17-12(10)11/h1-3,14H,4-9H2
InChIKeyWXHREWPLLUKVIB-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6S)-1-(2,3-dihydro-1-benzofuran-7-carbonyl)-1,4-diazepan-6-yl]acetic acid
CID 95550779
2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
(9aR)-2-(2,3-dihydro-1-benzofuran-7-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95122453
2,3-dihydro-1-benzofuran-7-yl-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 50955834
(3aS,6aS)-5-(2,3-dihydro-1-benzofuran-7-carbonyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50949489
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-1,4-diazepan-5-one
CID 62046592
2,3-dihydro-1-benzofuran-7-yl-(2,6-dimethylphenyl)methanone
CID 114026900
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 95209404
2-(piperazine-1-carbonyl)benzoyl chloride
CID 82511837

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone (CID 83895167) is 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone is O=C(c1cccc2c1OCC2)N1CCNCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone?
The InChIKey is WXHREWPLLUKVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(15-7-5-14-6-8-15)11-3-1-2-10-4-9-17-12(10)11/h1-3,14H,4-9H2.
What are the key properties of 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone?
2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 83895167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).