3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione

C17H22N2O2 — CID 64885216

IUPAC3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(CC)(CC)NC(=O)C1c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-12-19-14(13-10-8-7-9-11-13)15(20)18-17(5-2,6-3)16(19)21/h4,7-11,14H,1,5-6,12H2,2-3H3,(H,18,20)
InChIKeyZJDQZFWRFWHJLZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.43
Rot. Bonds5

About 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione

3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione (PubChem CID 64885216) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione
PubChem CID64885216
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione
SMILESC=CCN1C(=O)C(CC)(CC)NC(=O)C1c1ccccc1
InChIInChI=1S/C17H22N2O2/c1-4-12-19-14(13-10-8-7-9-11-13)15(20)18-17(5-2,6-3)16(19)21/h4,7-11,14H,1,5-6,12H2,2-3H3,(H,18,20)
InChIKeyZJDQZFWRFWHJLZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-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 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione (CID 64885216) is 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione is C=CCN1C(=O)C(CC)(CC)NC(=O)C1c1ccccc1.
What is the InChIKey of 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione?
The InChIKey is ZJDQZFWRFWHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-12-19-14(13-10-8-7-9-11-13)15(20)18-17(5-2,6-3)16(19)21/h4,7-11,14H,1,5-6,12H2,2-3H3,(H,18,20).
What are the key properties of 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione?
3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-phenyl-1-prop-2-enylpiperazine-2,5-dione is sourced from PubChem (CID 64885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).