3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione

C16H22N2O2 — CID 64958766

IUPAC3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-5-12-14(19)17-13(16(2,3)4)15(20)18(12)11-9-7-6-8-10-11/h6-10,12-13H,5H2,1-4H3,(H,17,19)
InChIKeyQZCPBLMWQJGGDB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.34
Rot. Bonds2

About 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione

3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione (PubChem CID 64958766) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
PubChem CID64958766
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-5-12-14(19)17-13(16(2,3)4)15(20)18(12)11-9-7-6-8-10-11/h6-10,12-13H,5H2,1-4H3,(H,17,19)
InChIKeyQZCPBLMWQJGGDB-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-(3-chlorophenyl)-6-ethylpiperazine-2,5-dione
CID 64961220
3-tert-butyl-6-ethyl-1-(1-methylpyrazol-4-yl)piperazine-2,5-dione
CID 64960512
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
CID 64902852
3-tert-butyl-6-ethyl-1-(1-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64963081
1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64972240
1-[4-(dimethylamino)phenyl]-3,6-diethylpiperazine-2,5-dione
CID 64960932
3-tert-butyl-6-methyl-1-(2-methylphenyl)piperazine-2,5-dione
CID 64959323
3-tert-butyl-6-ethyl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64960457
3,6-diethyl-1-(4-methylsulfanylphenyl)piperazine-2,5-dione
CID 64962224
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
1-(3-ethoxyphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64966549

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione (CID 64958766) is 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1c1ccccc1.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione?
The InChIKey is QZCPBLMWQJGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-12-14(19)17-13(16(2,3)4)15(20)18(12)11-9-7-6-8-10-11/h6-10,12-13H,5H2,1-4H3,(H,17,19).
What are the key properties of 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64958766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).