3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione

C15H18N2O3 — CID 66062306

IUPAC3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione
SMILESCc1cccc(CCC(=O)N2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C15H18N2O3/c1-10-4-3-5-12(8-10)6-7-14(19)17-9-13(18)16-15(20)11(17)2/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,18,20)
InChIKeyZPPJBNHIRSNBQO-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.80
Rot. Bonds3

About 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione

3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione (PubChem CID 66062306) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione
PubChem CID66062306
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione
SMILESCc1cccc(CCC(=O)N2CC(=O)NC(=O)C2C)c1
InChIInChI=1S/C15H18N2O3/c1-10-4-3-5-12(8-10)6-7-14(19)17-9-13(18)16-15(20)11(17)2/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,18,20)
InChIKeyZPPJBNHIRSNBQO-UHFFFAOYSA-N
XLogP0.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061914
4-[3-(3-bromophenoxy)propanoyl]-3-methylpiperazine-2,6-dione
CID 66061582
3-(3-methylphenyl)-1-(2-methyl-1,3-thiazolidin-3-yl)propan-1-one
CID 122331753
3-methyl-4-[2-(4-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66063520
5,5-dimethyl-1-[3-(3-methylphenyl)propanoyl]pyrrolidin-3-one
CID 115275583
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
3-methyl-4-[2-(2-methylphenoxy)acetyl]piperazine-2,6-dione
CID 66061538
1-(2,5-diethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 64978172
6-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122083730
4-(2,4-dimethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061744
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione (CID 66062306) is 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione is Cc1cccc(CCC(=O)N2CC(=O)NC(=O)C2C)c1.
What is the InChIKey of 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione?
The InChIKey is ZPPJBNHIRSNBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-3-5-12(8-10)6-7-14(19)17-9-13(18)16-15(20)11(17)2/h3-5,8,11H,6-7,9H2,1-2H3,(H,16,18,20).
What are the key properties of 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione?
3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione has a molecular weight of 274.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-(3-methylphenyl)propanoyl]piperazine-2,6-dione is sourced from PubChem (CID 66062306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).