4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione

C15H18N2O4 — CID 66082939

IUPAC4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
SMILESCC(C)c1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-10(2)11-3-5-12(6-4-11)21-9-15(20)17-7-13(18)16-14(19)8-17/h3-6,10H,7-9H2,1-2H3,(H,16,18,19)
InChIKeyZAOKKBBWMFQYMJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.67
Rot. Bonds4

About 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione

4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione (PubChem CID 66082939) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
PubChem CID66082939
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione
SMILESCC(C)c1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C15H18N2O4/c1-10(2)11-3-5-12(6-4-11)21-9-15(20)17-7-13(18)16-14(19)8-17/h3-6,10H,7-9H2,1-2H3,(H,16,18,19)
InChIKeyZAOKKBBWMFQYMJ-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chlorophenoxy)acetyl]piperazine-2,6-dione
CID 66085312
4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
CID 66085533
1-(3,5-dimethylpiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 112778015
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carbonitrile
CID 49063748
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301
3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159768
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90506459
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90592948
ethyl 1-[2-(4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylate
CID 1082805

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione (CID 66082939) is 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione is CC(C)c1ccc(OCC(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione?
The InChIKey is ZAOKKBBWMFQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(2)11-3-5-12(6-4-11)21-9-15(20)17-7-13(18)16-14(19)8-17/h3-6,10H,7-9H2,1-2H3,(H,16,18,19).
What are the key properties of 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione?
4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione has a molecular weight of 290.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylphenoxy)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 66082939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).