3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione

C12H20N2O2 — CID 64959665

IUPAC3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
SMILESCC(C)C(C)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)8(3)14-6-10(15)13-11(12(14)16)9-4-5-9/h7-9,11H,4-6H2,1-3H3,(H,13,15)
InChIKeyCLGKUFSJTHKFDZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds3

About 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione

3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione (PubChem CID 64959665) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
PubChem CID64959665
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
SMILESCC(C)C(C)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-7(2)8(3)14-6-10(15)13-11(12(14)16)9-4-5-9/h7-9,11H,4-6H2,1-3H3,(H,13,15)
InChIKeyCLGKUFSJTHKFDZ-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
CID 64972991
1-but-3-yn-2-yl-3-cyclohexylpiperazine-2,5-dione
CID 114420556
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79350646
3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965061
1-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 64956164
3-cyclohexyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963749
3-cyclohexyl-1-(1-cyclopropylbutan-2-yl)piperazine-2,5-dione
CID 64971924
1-(1-cyclopentylethyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64972303

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione (CID 64959665) is 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione is CC(C)C(C)N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
The InChIKey is CLGKUFSJTHKFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7(2)8(3)14-6-10(15)13-11(12(14)16)9-4-5-9/h7-9,11H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione?
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione has a molecular weight of 224.30 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 3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64959665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).