1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione

C12H20N2O2 — CID 64969413

IUPAC1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C2CCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-5-10-12(16)14(9-6-4-7-9)8(2)11(15)13-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyICIWXWSOJMMQRI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.05
Rot. Bonds3

About 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione

1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64969413) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64969413
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C2CCC2)C1=O
InChIInChI=1S/C12H20N2O2/c1-3-5-10-12(16)14(9-6-4-7-9)8(2)11(15)13-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyICIWXWSOJMMQRI-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926
6-tert-butyl-1-cyclopentyl-3-propylpiperazine-2,5-dione
CID 82937313
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64959767
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione
CID 64966271
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione (CID 64969413) is 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(C2CCC2)C1=O.
What is the InChIKey of 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is ICIWXWSOJMMQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-10-12(16)14(9-6-4-7-9)8(2)11(15)13-10/h8-10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione?
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64969413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).