1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C13H22N2O2 — CID 64969387

IUPAC1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CCC1
InChIInChI=1S/C13H22N2O2/c1-4-10-12(16)14-11(8(2)3)13(17)15(10)9-6-5-7-9/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyLVWZRONEYMZZLE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

About 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64969387) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64969387
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CCC1
InChIInChI=1S/C13H22N2O2/c1-4-10-12(16)14-11(8(2)3)13(17)15(10)9-6-5-7-9/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyLVWZRONEYMZZLE-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964568
6-ethyl-1-(1-ethylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965128
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902522
3-cyclobutyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83254569
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64969387) is 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1C1CCC1.
What is the InChIKey of 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is LVWZRONEYMZZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-10-12(16)14-11(8(2)3)13(17)15(10)9-6-5-7-9/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64969387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).