4-butanoyl-1-methylpiperazin-2-one

C9H16N2O2 — CID 64693337

IUPAC4-butanoyl-1-methylpiperazin-2-one
SMILESCCCC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H16N2O2/c1-3-4-8(12)11-6-5-10(2)9(13)7-11/h3-7H2,1-2H3
InChIKeyFXEYHWYKQJNOQB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds2

About 4-butanoyl-1-methylpiperazin-2-one

4-butanoyl-1-methylpiperazin-2-one (PubChem CID 64693337) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-butanoyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-butanoyl-1-methylpiperazin-2-one
PubChem CID64693337
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-butanoyl-1-methylpiperazin-2-one
SMILESCCCC(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C9H16N2O2/c1-3-4-8(12)11-6-5-10(2)9(13)7-11/h3-7H2,1-2H3
InChIKeyFXEYHWYKQJNOQB-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-propanoylpiperazin-2-one
CID 64693548
1-methyl-4-[3-(methylamino)propanoyl]piperazin-2-one
CID 64681606
4-(4-amino-4-methylpentanoyl)-1-methylpiperazin-2-one
CID 64682222
1-(4-methyl-3-oxopiperazin-1-yl)butane-1,3-dione
CID 64680135
1-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110708045
ethyl 3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropanoate
CID 110476247
1-methyl-4-(3-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107036798
N-ethyl-4-methyl-3-oxopiperazine-1-carboxamide
CID 89097126
2-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethoxy]acetic acid
CID 64683018
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
4-(2-aminopentanoyl)-1-methylpiperazin-2-one
CID 64681612
ethane;4-methyl-3-oxopiperazine-1-carboxamide
CID 143722944

Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-1-methylpiperazin-2-one?
The IUPAC name of 4-butanoyl-1-methylpiperazin-2-one (CID 64693337) is 4-butanoyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-butanoyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-butanoyl-1-methylpiperazin-2-one is CCCC(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-butanoyl-1-methylpiperazin-2-one?
The InChIKey is FXEYHWYKQJNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-8(12)11-6-5-10(2)9(13)7-11/h3-7H2,1-2H3.
What are the key properties of 4-butanoyl-1-methylpiperazin-2-one?
4-butanoyl-1-methylpiperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-1-methylpiperazin-2-one is sourced from PubChem (CID 64693337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).