1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione

C16H22N2O2 — CID 64879688

IUPAC1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1ccccc1CN1C(=O)CNC(=O)C1CC(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)8-14-16(20)17-9-15(19)18(14)10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)
InChIKeyUBDAYYRISWEFHU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione

1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64879688) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64879688
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCc1ccccc1CN1C(=O)CNC(=O)C1CC(C)C
InChIInChI=1S/C16H22N2O2/c1-11(2)8-14-16(20)17-9-15(19)18(14)10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3,(H,17,20)
InChIKeyUBDAYYRISWEFHU-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione (CID 64879688) is 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione is Cc1ccccc1CN1C(=O)CNC(=O)C1CC(C)C.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is UBDAYYRISWEFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)8-14-16(20)17-9-15(19)18(14)10-13-7-5-4-6-12(13)3/h4-7,11,14H,8-10H2,1-3H3,(H,17,20).
What are the key properties of 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione?
1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64879688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).