1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one

C15H20N2O2 — CID 65444415

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one
SMILESCC1NCCN(CCc2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C15H20N2O2/c1-11-15(18)17(8-6-16-11)7-4-12-2-3-14-13(10-12)5-9-19-14/h2-3,10-11,16H,4-9H2,1H3
InChIKeyNMVUKPMNEUQRGS-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.98
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one (PubChem CID 65444415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one
PubChem CID65444415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one
SMILESCC1NCCN(CCc2ccc3c(c2)CCO3)C1=O
InChIInChI=1S/C15H20N2O2/c1-11-15(18)17(8-6-16-11)7-4-12-2-3-14-13(10-12)5-9-19-14/h2-3,10-11,16H,4-9H2,1H3
InChIKeyNMVUKPMNEUQRGS-UHFFFAOYSA-N
XLogP0.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methyl-1,4-diazepan-2-one
CID 65447258
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazine-2,5-dione
CID 65442473
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 65442474
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095387
4-(aminomethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-one
CID 83552164
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]ethanone
CID 163350132
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712077
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 65443260
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5-methylpiperazine
CID 65442076
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5,6-dimethylpyrimidin-4-one
CID 146130232

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one (CID 65444415) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one is CC1NCCN(CCc2ccc3c(c2)CCO3)C1=O.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one?
The InChIKey is NMVUKPMNEUQRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-15(18)17(8-6-16-11)7-4-12-2-3-14-13(10-12)5-9-19-14/h2-3,10-11,16H,4-9H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 65444415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).