3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione

C16H22N2O2 — CID 64973584

IUPAC3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCCc1ccccc1CN1CC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-12-8-6-7-9-13(12)10-18-11-14(19)17-16(3,5-2)15(18)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyXTWKIAOCQWUBQL-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds4

About 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione

3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 64973584) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID64973584
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCCc1ccccc1CN1CC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-12-8-6-7-9-13(12)10-18-11-14(19)17-16(3,5-2)15(18)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,19)
InChIKeyXTWKIAOCQWUBQL-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione (CID 64973584) is 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione is CCc1ccccc1CN1CC(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is XTWKIAOCQWUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-12-8-6-7-9-13(12)10-18-11-14(19)17-16(3,5-2)15(18)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,19).
What are the key properties of 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione?
3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64973584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).