1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione

C14H18N2O4 — CID 66061863

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
SMILESCCOc1ccccc1OCCN1C(=O)CNCC1=O
InChIInChI=1S/C14H18N2O4/c1-2-19-11-5-3-4-6-12(11)20-8-7-16-13(17)9-15-10-14(16)18/h3-6,15H,2,7-10H2,1H3
InChIKeyLRPGDSOLHYHLPH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.42
Rot. Bonds6

About 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione

1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione (PubChem CID 66061863) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
PubChem CID66061863
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
SMILESCCOc1ccccc1OCCN1C(=O)CNCC1=O
InChIInChI=1S/C14H18N2O4/c1-2-19-11-5-3-4-6-12(11)20-8-7-16-13(17)9-15-10-14(16)18/h3-6,15H,2,7-10H2,1H3
InChIKeyLRPGDSOLHYHLPH-UHFFFAOYSA-N
XLogP0.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 22157085
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
CID 119906010
3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 16790120
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
3-[2-(2-ethoxyphenoxy)ethyl]pyrimidin-4-one
CID 115696902
[1-[2-(2-ethoxyphenoxy)ethyl]piperidin-4-yl]methanamine;hydrochloride
CID 119909159
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
3-[2-(2-ethoxyphenoxy)ethyl]-3-methylazetidine
CID 79451109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione (CID 66061863) is 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione is CCOc1ccccc1OCCN1C(=O)CNCC1=O.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione?
The InChIKey is LRPGDSOLHYHLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-19-11-5-3-4-6-12(11)20-8-7-16-13(17)9-15-10-14(16)18/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione?
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione has a molecular weight of 278.31 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 66061863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).