3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one

C11H14N2O3 — CID 63373501

IUPAC3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)C2C)o1
InChIInChI=1S/C11H14N2O3/c1-7-3-4-9(16-7)11(15)13-6-5-12-10(14)8(13)2/h3-4,8H,5-6H2,1-2H3,(H,12,14)
InChIKeyYKISXMDDCCGBFO-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.55
Rot. Bonds1

About 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one

3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one (PubChem CID 63373501) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one
PubChem CID63373501
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)C2C)o1
InChIInChI=1S/C11H14N2O3/c1-7-3-4-9(16-7)11(15)13-6-5-12-10(14)8(13)2/h3-4,8H,5-6H2,1-2H3,(H,12,14)
InChIKeyYKISXMDDCCGBFO-UHFFFAOYSA-N
XLogP0.55
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one (CID 63373501) is 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one is Cc1ccc(C(=O)N2CCNC(=O)C2C)o1.
What is the InChIKey of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one?
The InChIKey is YKISXMDDCCGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-3-4-9(16-7)11(15)13-6-5-12-10(14)8(13)2/h3-4,8H,5-6H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one?
3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one has a molecular weight of 222.24 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 63373501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).