3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione

C17H24N2O2 — CID 64878866

IUPAC3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione
SMILESCc1cc(C)cc(CN2CC(=O)NC(C(C)(C)C)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-11-6-12(2)8-13(7-11)9-19-10-14(20)18-15(16(19)21)17(3,4)5/h6-8,15H,9-10H2,1-5H3,(H,18,20)
InChIKeyZYUMBVWQVNLQSZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.18
Rot. Bonds2

About 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione

3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64878866) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione
PubChem CID64878866
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione
SMILESCc1cc(C)cc(CN2CC(=O)NC(C(C)(C)C)C2=O)c1
InChIInChI=1S/C17H24N2O2/c1-11-6-12(2)8-13(7-11)9-19-10-14(20)18-15(16(19)21)17(3,4)5/h6-8,15H,9-10H2,1-5H3,(H,18,20)
InChIKeyZYUMBVWQVNLQSZ-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-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-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione (CID 64878866) is 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione is Cc1cc(C)cc(CN2CC(=O)NC(C(C)(C)C)C2=O)c1.
What is the InChIKey of 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is ZYUMBVWQVNLQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-6-12(2)8-13(7-11)9-19-10-14(20)18-15(16(19)21)17(3,4)5/h6-8,15H,9-10H2,1-5H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione?
3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64878866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).