3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione

C17H24N2O2 — CID 64973137

IUPAC3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
SMILESCCc1ccccc1CN1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-12-8-6-7-9-13(12)10-19-11-14(20)18-15(16(19)21)17(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyNBMJPGCZZXELLN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds3

About 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione

3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64973137) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
PubChem CID64973137
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione
SMILESCCc1ccccc1CN1CC(=O)NC(C(C)(C)C)C1=O
InChIInChI=1S/C17H24N2O2/c1-5-12-8-6-7-9-13(12)10-19-11-14(20)18-15(16(19)21)17(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyNBMJPGCZZXELLN-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione (CID 64973137) is 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione is CCc1ccccc1CN1CC(=O)NC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is NBMJPGCZZXELLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-12-8-6-7-9-13(12)10-19-11-14(20)18-15(16(19)21)17(2,3)4/h6-9,15H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione?
3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[(2-ethylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64973137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).