3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione

C16H22N2O2 — CID 64966760

IUPAC3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C(C)c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-16(4)15(20)18(10-14(19)17-16)12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,17,19)
InChIKeyKMJGVONQAXMKJF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds3

About 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione

3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione (PubChem CID 64966760) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione
PubChem CID64966760
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C(C)c2ccc(C)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-5-16(4)15(20)18(10-14(19)17-16)12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,17,19)
InChIKeyKMJGVONQAXMKJF-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione (CID 64966760) is 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione is CCC1(C)NC(=O)CN(C(C)c2ccc(C)cc2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione?
The InChIKey is KMJGVONQAXMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-16(4)15(20)18(10-14(19)17-16)12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione?
3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[1-(4-methylphenyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64966760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).