1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione

C15H20N2O3 — CID 64879945

IUPAC1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione
SMILESCCOCCN1C(=O)CNC(=O)C1(C)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-3-20-10-9-17-13(18)11-16-14(19)15(17,2)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,19)
InChIKeyVYDWVKUWLJLEES-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds5

About 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione

1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione (PubChem CID 64879945) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione
PubChem CID64879945
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione
SMILESCCOCCN1C(=O)CNC(=O)C1(C)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-3-20-10-9-17-13(18)11-16-14(19)15(17,2)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,19)
InChIKeyVYDWVKUWLJLEES-UHFFFAOYSA-N
XLogP0.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione (CID 64879945) is 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione is CCOCCN1C(=O)CNC(=O)C1(C)c1ccccc1.
What is the InChIKey of 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione?
The InChIKey is VYDWVKUWLJLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-10-9-17-13(18)11-16-14(19)15(17,2)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione?
1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64879945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).