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

C16H22N2O2 — CID 64873316

IUPAC1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)C(C)NC(=O)C2(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-10-6-7-11(2)13(8-10)9-18-14(19)12(3)17-15(20)16(18,4)5/h6-8,12H,9H2,1-5H3,(H,17,20)
InChIKeyGQHWWLVATGSABZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.93
Rot. Bonds2

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

1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 64873316) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID64873316
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
SMILESCc1ccc(C)c(CN2C(=O)C(C)NC(=O)C2(C)C)c1
InChIInChI=1S/C16H22N2O2/c1-10-6-7-11(2)13(8-10)9-18-14(19)12(3)17-15(20)16(18,4)5/h6-8,12H,9H2,1-5H3,(H,17,20)
InChIKeyGQHWWLVATGSABZ-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 ≤ 500274.36
LogP ≤ 51.93
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]-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione (CID 64873316) is 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione is Cc1ccc(C)c(CN2C(=O)C(C)NC(=O)C2(C)C)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is GQHWWLVATGSABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-7-11(2)13(8-10)9-18-14(19)12(3)17-15(20)16(18,4)5/h6-8,12H,9H2,1-5H3,(H,17,20).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione?
1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 274.36 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 1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64873316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).