1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione

C14H18N2O3 — CID 64878640

IUPAC1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
SMILESCCOCCN1CC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-2-19-9-8-16-10-12(17)15-13(14(16)18)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,15,17)
InChIKeyHIYXZAXEJDWQLK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.72
Rot. Bonds5

About 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione

1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione (PubChem CID 64878640) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
PubChem CID64878640
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
SMILESCCOCCN1CC(=O)NC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-2-19-9-8-16-10-12(17)15-13(14(16)18)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,15,17)
InChIKeyHIYXZAXEJDWQLK-UHFFFAOYSA-N
XLogP0.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.72
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)-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione (CID 64878640) is 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione is CCOCCN1CC(=O)NC(c2ccccc2)C1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione?
The InChIKey is HIYXZAXEJDWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-19-9-8-16-10-12(17)15-13(14(16)18)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3,(H,15,17).
What are the key properties of 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione?
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64878640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).