3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione

C15H20N2O2 — CID 64959566

IUPAC3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1cccc(N2C(=O)C(C)NC(=O)C2C(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-9(2)13-14(18)16-11(4)15(19)17(13)12-7-5-6-10(3)8-12/h5-9,11,13H,1-4H3,(H,16,18)
InChIKeyMYJFLIVADMKGAL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.87
Rot. Bonds2

About 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64959566) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64959566
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCc1cccc(N2C(=O)C(C)NC(=O)C2C(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-9(2)13-14(18)16-11(4)15(19)17(13)12-7-5-6-10(3)8-12/h5-9,11,13H,1-4H3,(H,16,18)
InChIKeyMYJFLIVADMKGAL-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64959566) is 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione is Cc1cccc(N2C(=O)C(C)NC(=O)C2C(C)C)c1.
What is the InChIKey of 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is MYJFLIVADMKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)13-14(18)16-11(4)15(19)17(13)12-7-5-6-10(3)8-12/h5-9,11,13H,1-4H3,(H,16,18).
What are the key properties of 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylphenyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).