3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione

C17H24N2O2 — CID 64901185

IUPAC3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
SMILESCCN1C(=O)C(Cc2ccccc2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-5-19-14(17(2,3)4)15(20)18-13(16(19)21)11-12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H,18,20)
InChIKeySRZLNPFLSUUJRH-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds3

About 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione

3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione (PubChem CID 64901185) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
PubChem CID64901185
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione
SMILESCCN1C(=O)C(Cc2ccccc2)NC(=O)C1C(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-5-19-14(17(2,3)4)15(20)18-13(16(19)21)11-12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H,18,20)
InChIKeySRZLNPFLSUUJRH-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-6-cyclopropyl-1-ethylpiperazine-2,5-dione
CID 64900807
1-benzyl-3,6-ditert-butylpiperazine-2,5-dione
CID 64902852
(3S,6S,9R,12S,15S,18R)-3,6,9,12,15,18-hexabenzyl-1,10-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
CID 10855003
(2S,5S)-5-benzyl-2-tert-butyl-3-(hydroxymethyl)imidazolidin-4-one
CID 69326058
3-benzyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 20676238
5-benzyl-3-(2-cyclopropylethyl)-2-propylimidazolidin-4-one
CID 83268843
3-benzyl-1-cyclopentyl-6-methylpiperazine-2,5-dione
CID 64958470
(3S,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 101384309
6-tert-butyl-3-ethyl-1-(2-ethylbutyl)piperazine-2,5-dione
CID 82934453
6-benzylpiperazine-2,3,5-trione
CID 14446168
(5S)-5-(phenyl(113C)methyl)imidazolidine-2,4-dione
CID 53360215
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione?
The IUPAC name of 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione (CID 64901185) is 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione.
What is the SMILES notation for 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione?
The canonical SMILES for 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione is CCN1C(=O)C(Cc2ccccc2)NC(=O)C1C(C)(C)C.
What is the InChIKey of 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione?
The InChIKey is SRZLNPFLSUUJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19-14(17(2,3)4)15(20)18-13(16(19)21)11-12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H,18,20).
What are the key properties of 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione?
3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-tert-butyl-1-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64901185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).