1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione

C13H22N2O3 — CID 79942486

IUPAC1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)C(C)(C)C)CC1=O
InChIInChI=1S/C13H22N2O3/c1-5-6-14-8-12(18)15(9-11(14)17)7-10(16)13(2,3)4/h5-9H2,1-4H3
InChIKeyXCBMCMGVZZEPRT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds4

About 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione

1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione (PubChem CID 79942486) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
PubChem CID79942486
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(CC(=O)C(C)(C)C)CC1=O
InChIInChI=1S/C13H22N2O3/c1-5-6-14-8-12(18)15(9-11(14)17)7-10(16)13(2,3)4/h5-9H2,1-4H3
InChIKeyXCBMCMGVZZEPRT-UHFFFAOYSA-N
XLogP0.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione (CID 79942486) is 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(CC(=O)C(C)(C)C)CC1=O.
What is the InChIKey of 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione?
The InChIKey is XCBMCMGVZZEPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-5-6-14-8-12(18)15(9-11(14)17)7-10(16)13(2,3)4/h5-9H2,1-4H3.
What are the key properties of 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione?
1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2-oxobutyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 79942486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).