6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione

C15H20N2O2 — CID 64879553

IUPAC6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)CNC(=O)C1(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(2)10-17-13(18)9-16-14(19)15(17,3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,19)
InChIKeyJBSJYBHMBUUCCU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds3

About 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione

6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione (PubChem CID 64879553) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
PubChem CID64879553
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
SMILESCC(C)CN1C(=O)CNC(=O)C1(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(2)10-17-13(18)9-16-14(19)15(17,3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,19)
InChIKeyJBSJYBHMBUUCCU-UHFFFAOYSA-N
XLogP1.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione (CID 64879553) is 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione is CC(C)CN1C(=O)CNC(=O)C1(C)c1ccccc1.
What is the InChIKey of 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is JBSJYBHMBUUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)10-17-13(18)9-16-14(19)15(17,3)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,19).
What are the key properties of 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpropyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64879553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).