1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione

C15H20N2O2 — CID 64873082

IUPAC1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)C(C)NC(=O)C2C)c1
InChIInChI=1S/C15H20N2O2/c1-9-5-6-10(2)13(7-9)8-17-12(4)14(18)16-11(3)15(17)19/h5-7,11-12H,8H2,1-4H3,(H,16,18)
InChIKeyHRODCVCRZQJKAR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione

1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64873082) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
PubChem CID64873082
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)C(C)NC(=O)C2C)c1
InChIInChI=1S/C15H20N2O2/c1-9-5-6-10(2)13(7-9)8-17-12(4)14(18)16-11(3)15(17)19/h5-7,11-12H,8H2,1-4H3,(H,16,18)
InChIKeyHRODCVCRZQJKAR-UHFFFAOYSA-N
XLogP1.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione (CID 64873082) is 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione is Cc1ccc(C)c(CN2C(=O)C(C)NC(=O)C2C)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is HRODCVCRZQJKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-5-6-10(2)13(7-9)8-17-12(4)14(18)16-11(3)15(17)19/h5-7,11-12H,8H2,1-4H3,(H,16,18).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione?
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64873082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).