1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione

C15H16N2O4 — CID 163786851

IUPAC1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione
SMILESCC(C)C(=O)N1CC(=O)N(C(=O)c2ccccc2)CC1=O
InChIInChI=1S/C15H16N2O4/c1-10(2)14(20)16-8-13(19)17(9-12(16)18)15(21)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyMTHOUBQVBCMMBG-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.68
Rot. Bonds2

About 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione

1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione (PubChem CID 163786851) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione
PubChem CID163786851
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione
SMILESCC(C)C(=O)N1CC(=O)N(C(=O)c2ccccc2)CC1=O
InChIInChI=1S/C15H16N2O4/c1-10(2)14(20)16-8-13(19)17(9-12(16)18)15(21)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyMTHOUBQVBCMMBG-UHFFFAOYSA-N
XLogP0.68
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione?
The IUPAC name of 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione (CID 163786851) is 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione.
What is the SMILES notation for 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione?
The canonical SMILES for 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione is CC(C)C(=O)N1CC(=O)N(C(=O)c2ccccc2)CC1=O.
What is the InChIKey of 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione?
The InChIKey is MTHOUBQVBCMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(2)14(20)16-8-13(19)17(9-12(16)18)15(21)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione?
1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione has a molecular weight of 288.30 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione is sourced from PubChem (CID 163786851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).