3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione

C16H22N2O2 — CID 66067467

IUPAC3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione
SMILESCCC1NCC(=O)N(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-14-16(20)18(15(19)9-17-14)10-12-5-7-13(8-6-12)11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyBWKKSAGQKTURBQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds4

About 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione

3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione (PubChem CID 66067467) 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-2,6-dione.

Molecular Properties

Compound Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione
PubChem CID66067467
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione
SMILESCCC1NCC(=O)N(Cc2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C16H22N2O2/c1-4-14-16(20)18(15(19)9-17-14)10-12-5-7-13(8-6-12)11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyBWKKSAGQKTURBQ-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1-[(4-ethylphenyl)methyl]piperazine-2,6-dione
CID 66068230
3-ethyl-1-[(4-fluorophenyl)methyl]piperazine-2,6-dione
CID 66068058
4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide
CID 66067656
1-[(5-chlorothiophen-2-yl)methyl]-3-ethylpiperazine-2,6-dione
CID 66067652
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879994
1-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 112654102
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
(5S)-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 9172270
3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperazine-2,6-dione
CID 107913510
3-ethyl-1-(4-propan-2-ylphenyl)piperazine-2,5-dione
CID 64956470
3-ethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,6-dione
CID 66068238

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione (CID 66067467) is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione is CCC1NCC(=O)N(Cc2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione?
The InChIKey is BWKKSAGQKTURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-14-16(20)18(15(19)9-17-14)10-12-5-7-13(8-6-12)11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3.
What are the key properties of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione?
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione has a molecular weight of 274.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 66067467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).