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

C16H22N2O2 — CID 64879994

IUPAC3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-14-16(20)18(10-15(19)17-14)9-12-5-7-13(8-6-12)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyMEGPORXTXMBZDO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds4

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

3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione (PubChem CID 64879994) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
PubChem CID64879994
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-14-16(20)18(10-15(19)17-14)9-12-5-7-13(8-6-12)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyMEGPORXTXMBZDO-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione (CID 64879994) is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione is CCC1NC(=O)CN(Cc2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
The InChIKey is MEGPORXTXMBZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-14-16(20)18(10-15(19)17-14)9-12-5-7-13(8-6-12)11(2)3/h5-8,11,14H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione?
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).