1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone

C13H20N2O2 — CID 115273139

IUPAC1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCNCC2(C)C)o1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)8-12(16)15-7-6-14-9-13(15,2)3/h4-5,14H,6-9H2,1-3H3
InChIKeyLKWNWZLALLKUIR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.34
Rot. Bonds2

About 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone

1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone (PubChem CID 115273139) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
PubChem CID115273139
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCNCC2(C)C)o1
InChIInChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)8-12(16)15-7-6-14-9-13(15,2)3/h4-5,14H,6-9H2,1-3H3
InChIKeyLKWNWZLALLKUIR-UHFFFAOYSA-N
XLogP1.34
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone (CID 115273139) is 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone is Cc1ccc(CC(=O)N2CCNCC2(C)C)o1.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
The InChIKey is LKWNWZLALLKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-4-5-11(17-10)8-12(16)15-7-6-14-9-13(15,2)3/h4-5,14H,6-9H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone?
1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone has a molecular weight of 236.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 115273139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).