6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione

C13H16N2O2 — CID 64883494

IUPAC6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(c2ccccc2)NC1=O
InChIInChI=1S/C13H16N2O2/c1-3-10-11(16)15-13(2,12(17)14-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNAHMBEHMCSCEAZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.93
Rot. Bonds2

About 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione

6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione (PubChem CID 64883494) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
PubChem CID64883494
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(c2ccccc2)NC1=O
InChIInChI=1S/C13H16N2O2/c1-3-10-11(16)15-13(2,12(17)14-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNAHMBEHMCSCEAZ-UHFFFAOYSA-N
XLogP0.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-5-methyl-5-phenylpyrrolidine-2,4-dione
CID 19438036
3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64883670
3,7-dimethyl-3-phenyl-1,4-diazepane-2,5-dione
CID 64884255
3-ethyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902453
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260
1-benzyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879640
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione
CID 107902386
6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
CID 64881586
(3R)-3-ethyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 176953118
3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione
CID 64878876
1-[(E)-but-2-enyl]-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 107898394
(3S,6S)-3-benzyl-6-(1H-imidazol-5-ylmethyl)-3-methylpiperazine-2,5-dione
CID 11087822

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione (CID 64883494) is 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione is CCC1NC(=O)C(C)(c2ccccc2)NC1=O.
What is the InChIKey of 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
The InChIKey is NAHMBEHMCSCEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-10-11(16)15-13(2,12(17)14-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione?
6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64883494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).