3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione

C16H20N2O2 — CID 64958590

IUPAC3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione
SMILESCc1cccc(N2C(=O)C(C3CC3)NC(=O)C2C)c1C
InChIInChI=1S/C16H20N2O2/c1-9-5-4-6-13(10(9)2)18-11(3)15(19)17-14(16(18)20)12-7-8-12/h4-6,11-12,14H,7-8H2,1-3H3,(H,17,19)
InChIKeyXHQNGYSFYVVHBY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds2

About 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione

3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione (PubChem CID 64958590) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione
PubChem CID64958590
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione
SMILESCc1cccc(N2C(=O)C(C3CC3)NC(=O)C2C)c1C
InChIInChI=1S/C16H20N2O2/c1-9-5-4-6-13(10(9)2)18-11(3)15(19)17-14(16(18)20)12-7-8-12/h4-6,11-12,14H,7-8H2,1-3H3,(H,17,19)
InChIKeyXHQNGYSFYVVHBY-UHFFFAOYSA-N
XLogP1.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-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-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione (CID 64958590) is 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione is Cc1cccc(N2C(=O)C(C3CC3)NC(=O)C2C)c1C.
What is the InChIKey of 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione?
The InChIKey is XHQNGYSFYVVHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-5-4-6-13(10(9)2)18-11(3)15(19)17-14(16(18)20)12-7-8-12/h4-6,11-12,14H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione?
3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3-dimethylphenyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64958590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).