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

C13H22N2O2 — CID 106329083

IUPAC3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
SMILESCCC(C)(CC)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-13(3,5-2)15-8-10(16)14-11(12(15)17)9-6-7-9/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKeyKEXXECOZBZXXDJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds4

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

3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione (PubChem CID 106329083) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
PubChem CID106329083
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
SMILESCCC(C)(CC)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-13(3,5-2)15-8-10(16)14-11(12(15)17)9-6-7-9/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKeyKEXXECOZBZXXDJ-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-cyclopropylpiperazine-2,5-dione
CID 64956164
3-cyclopropyl-1-propylpiperazine-2,5-dione
CID 64879619
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
3-cyclopropyl-1-(2-methyl-2-methylsulfanylpropyl)piperazine-2,5-dione
CID 113479458
3-cyclopropyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79350646
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
1-(3-methylpentan-3-yl)pyrrolidine-2,4-dione
CID 106329126
1-[(E)-3-chloroprop-2-enyl]-3-cyclopropylpiperazine-2,5-dione
CID 107902448
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
3-cyclopropyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
CID 64973621

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione (CID 106329083) is 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione is CCC(C)(CC)N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione?
The InChIKey is KEXXECOZBZXXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(3,5-2)15-8-10(16)14-11(12(15)17)9-6-7-9/h9,11H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione?
3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 106329083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).