4-(2-ethylbutanoyl)-3-methylpiperazin-2-one

C11H20N2O2 — CID 63606068

IUPAC4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
SMILESCCC(CC)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H20N2O2/c1-4-9(5-2)11(15)13-7-6-12-10(14)8(13)3/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyVMLGZMHOTLAYMB-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds3

About 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one

4-(2-ethylbutanoyl)-3-methylpiperazin-2-one (PubChem CID 63606068) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
PubChem CID63606068
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
SMILESCCC(CC)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C11H20N2O2/c1-4-9(5-2)11(15)13-7-6-12-10(14)8(13)3/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyVMLGZMHOTLAYMB-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
N'-hydroxy-2-(2-methyl-3-oxopiperazine-1-carbonyl)butanimidamide
CID 77000593
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 104908462
3-ethyl-4-(2-ethylhexanoyl)piperazin-2-one
CID 63600640
4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 63605877
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 107839956
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one (CID 63606068) is 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one is CCC(CC)C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one?
The InChIKey is VMLGZMHOTLAYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-9(5-2)11(15)13-7-6-12-10(14)8(13)3/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one?
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutanoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63606068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).