3-butan-2-yl-1-methylpiperazine-2,5-dione

C9H16N2O2 — CID 64880533

IUPAC3-butan-2-yl-1-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-6(2)8-9(13)11(3)5-7(12)10-8/h6,8H,4-5H2,1-3H3,(H,10,12)
InChIKeyNGDHMLDOWZPZJB-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds2

About 3-butan-2-yl-1-methylpiperazine-2,5-dione

3-butan-2-yl-1-methylpiperazine-2,5-dione (PubChem CID 64880533) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-butan-2-yl-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-methylpiperazine-2,5-dione
PubChem CID64880533
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-butan-2-yl-1-methylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C)C1=O
InChIInChI=1S/C9H16N2O2/c1-4-6(2)8-9(13)11(3)5-7(12)10-8/h6,8H,4-5H2,1-3H3,(H,10,12)
InChIKeyNGDHMLDOWZPZJB-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
3-butan-2-yl-1-but-3-ynylpiperazine-2,5-dione
CID 64972451
3-butan-2-yl-1-(2-methylbutan-2-yl)piperazine-2,5-dione
CID 64958198
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
CID 64972207
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 114516865
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
3-butan-2-yl-1-(2,4,4-trimethylpentan-2-yl)piperazine-2,5-dione
CID 64966976
3-butan-2-yl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960454
3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione
CID 64973362
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-methylpiperazine-2,5-dione (CID 64880533) is 3-butan-2-yl-1-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-methylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-methylpiperazine-2,5-dione is CCC(C)C1NC(=O)CN(C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-methylpiperazine-2,5-dione?
The InChIKey is NGDHMLDOWZPZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-6(2)8-9(13)11(3)5-7(12)10-8/h6,8H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 3-butan-2-yl-1-methylpiperazine-2,5-dione?
3-butan-2-yl-1-methylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).