1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione

C16H22N2O2 — CID 64873808

IUPAC1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)C(C)(C)NC(=O)C2C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-12-6-8-13(9-7-12)10-18-11(2)14(19)17-16(3,4)15(18)20/h6-9,11H,5,10H2,1-4H3,(H,17,19)
InChIKeyQCUXXGBVRQEWNS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.87
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione

1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64873808) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64873808
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione
SMILESCCc1ccc(CN2C(=O)C(C)(C)NC(=O)C2C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-12-6-8-13(9-7-12)10-18-11(2)14(19)17-16(3,4)15(18)20/h6-9,11H,5,10H2,1-4H3,(H,17,19)
InChIKeyQCUXXGBVRQEWNS-UHFFFAOYSA-N
XLogP1.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione (CID 64873808) is 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione is CCc1ccc(CN2C(=O)C(C)(C)NC(=O)C2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is QCUXXGBVRQEWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-12-6-8-13(9-7-12)10-18-11(2)14(19)17-16(3,4)15(18)20/h6-9,11H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione?
1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64873808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).