6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione

C15H28N2O3 — CID 106458956

IUPAC6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
SMILESCCCOCCN1C(=O)C(CCC)NC(=O)C1(C)CC
InChIInChI=1S/C15H28N2O3/c1-5-8-12-13(18)17(9-11-20-10-6-2)15(4,7-3)14(19)16-12/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyDKEIGKQMNXAVNT-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds8

About 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione

6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione (PubChem CID 106458956) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
PubChem CID106458956
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
SMILESCCCOCCN1C(=O)C(CCC)NC(=O)C1(C)CC
InChIInChI=1S/C15H28N2O3/c1-5-8-12-13(18)17(9-11-20-10-6-2)15(4,7-3)14(19)16-12/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyDKEIGKQMNXAVNT-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-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 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione (CID 106458956) is 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione is CCCOCCN1C(=O)C(CCC)NC(=O)C1(C)CC.
What is the InChIKey of 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione?
The InChIKey is DKEIGKQMNXAVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-8-12-13(18)17(9-11-20-10-6-2)15(4,7-3)14(19)16-12/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione?
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 106458956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).