6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione

C17H24N2O2 — CID 64879343

IUPAC6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)CNC(=O)C2(CC)CC)cc1
InChIInChI=1S/C17H24N2O2/c1-4-13-7-9-14(10-8-13)12-19-15(20)11-18-16(21)17(19,5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyTWJMNRFQWKFRLR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.27
Rot. Bonds5

About 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione

6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64879343) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione
PubChem CID64879343
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)CNC(=O)C2(CC)CC)cc1
InChIInChI=1S/C17H24N2O2/c1-4-13-7-9-14(10-8-13)12-19-15(20)11-18-16(21)17(19,5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21)
InChIKeyTWJMNRFQWKFRLR-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione (CID 64879343) is 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione is CCc1ccc(CN2C(=O)CNC(=O)C2(CC)CC)cc1.
What is the InChIKey of 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is TWJMNRFQWKFRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-13-7-9-14(10-8-13)12-19-15(20)11-18-16(21)17(19,5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,21).
What are the key properties of 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione?
6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).