1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione

C13H24N2O3 — CID 64968689

IUPAC1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCC(C)CN1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C13H24N2O3/c1-9(2)5-11-13(17)15(7-12(16)14-11)6-10(3)8-18-4/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyIZXMSDIPHNAAAP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.64
Rot. Bonds6

About 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64968689) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64968689
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCOCC(C)CN1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C13H24N2O3/c1-9(2)5-11-13(17)15(7-12(16)14-11)6-10(3)8-18-4/h9-11H,5-8H2,1-4H3,(H,14,16)
InChIKeyIZXMSDIPHNAAAP-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-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-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64968689) is 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione is COCC(C)CN1CC(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is IZXMSDIPHNAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)5-11-13(17)15(7-12(16)14-11)6-10(3)8-18-4/h9-11H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64968689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).