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

C15H20N2O2 — CID 64880486

IUPAC1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
SMILESCc1cc(C)cc(CN2C(=O)CNC(=O)C2(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-10-5-11(2)7-12(6-10)9-17-13(18)8-16-14(19)15(17,3)4/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyDJRSSIVIGMHJDN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds2

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

1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione (PubChem CID 64880486) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
PubChem CID64880486
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
SMILESCc1cc(C)cc(CN2C(=O)CNC(=O)C2(C)C)c1
InChIInChI=1S/C15H20N2O2/c1-10-5-11(2)7-12(6-10)9-17-13(18)8-16-14(19)15(17,3)4/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyDJRSSIVIGMHJDN-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-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione (CID 64880486) is 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione is Cc1cc(C)cc(CN2C(=O)CNC(=O)C2(C)C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is DJRSSIVIGMHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-5-11(2)7-12(6-10)9-17-13(18)8-16-14(19)15(17,3)4/h5-7H,8-9H2,1-4H3,(H,16,19).
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione?
1-[(3,5-dimethylphenyl)methyl]-6,6-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-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64880486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).