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

C11H14N2O3 — CID 63373484

IUPAC3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
SMILESCc1occc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H14N2O3/c1-7-10(14)12-4-5-13(7)11(15)9-3-6-16-8(9)2/h3,6-7H,4-5H2,1-2H3,(H,12,14)
InChIKeyKKZLGNUTCHCLQK-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.55
Rot. Bonds1

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

3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one (PubChem CID 63373484) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
PubChem CID63373484
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
SMILESCc1occc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H14N2O3/c1-7-10(14)12-4-5-13(7)11(15)9-3-6-16-8(9)2/h3,6-7H,4-5H2,1-2H3,(H,12,14)
InChIKeyKKZLGNUTCHCLQK-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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Related Compounds

3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one
CID 63373501
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 102787648
4-(5-bromofuran-2-carbonyl)-3-methylpiperazin-2-one
CID 63079543
2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 63608011
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one (CID 63373484) is 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one is Cc1occc1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
The InChIKey is KKZLGNUTCHCLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-10(14)12-4-5-13(7)11(15)9-3-6-16-8(9)2/h3,6-7H,4-5H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one?
3-methyl-4-(2-methylfuran-3-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-(2-methylfuran-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63373484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).