5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one

C14H16N2O2 — CID 82385737

IUPAC5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)NC(c2cccc3ccoc23)CNC1=O
InChIInChI=1S/C14H16N2O2/c1-14(2)13(17)15-8-11(16-14)10-5-3-4-9-6-7-18-12(9)10/h3-7,11,16H,8H2,1-2H3,(H,15,17)
InChIKeyPMSXOGJDUKVBQQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.97
Rot. Bonds1

About 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one

5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 82385737) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one
PubChem CID82385737
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)NC(c2cccc3ccoc23)CNC1=O
InChIInChI=1S/C14H16N2O2/c1-14(2)13(17)15-8-11(16-14)10-5-3-4-9-6-7-18-12(9)10/h3-7,11,16H,8H2,1-2H3,(H,15,17)
InChIKeyPMSXOGJDUKVBQQ-UHFFFAOYSA-N
XLogP1.97
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one (CID 82385737) is 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one is CC1(C)NC(c2cccc3ccoc23)CNC1=O.
What is the InChIKey of 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is PMSXOGJDUKVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2)13(17)15-8-11(16-14)10-5-3-4-9-6-7-18-12(9)10/h3-7,11,16H,8H2,1-2H3,(H,15,17).
What are the key properties of 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one?
5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-7-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 82385737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).