1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione

C16H22N2O2 — CID 64885693

IUPAC1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(CC)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-5-15(3)14(20)18(6-2)16(4,13(19)17-15)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,17,19)
InChIKeyCJYDCRGHARTHLZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds3

About 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione

1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione (PubChem CID 64885693) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
PubChem CID64885693
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(CC)NC(=O)C1(C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-5-15(3)14(20)18(6-2)16(4,13(19)17-15)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,17,19)
InChIKeyCJYDCRGHARTHLZ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione (CID 64885693) is 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione is CCN1C(=O)C(C)(CC)NC(=O)C1(C)c1ccccc1.
What is the InChIKey of 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
The InChIKey is CJYDCRGHARTHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-15(3)14(20)18(6-2)16(4,13(19)17-15)12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione?
1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3,6-dimethyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64885693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).