1-(2-phenoxyethyl)piperazine-2,6-dione

C12H14N2O3 — CID 66062056

IUPAC1-(2-phenoxyethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C12H14N2O3/c15-11-8-13-9-12(16)14(11)6-7-17-10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKeyCASPNZBDEOMXPD-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.02
Rot. Bonds4

About 1-(2-phenoxyethyl)piperazine-2,6-dione

1-(2-phenoxyethyl)piperazine-2,6-dione (PubChem CID 66062056) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(2-phenoxyethyl)piperazine-2,6-dione
PubChem CID66062056
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(2-phenoxyethyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCOc1ccccc1
InChIInChI=1S/C12H14N2O3/c15-11-8-13-9-12(16)14(11)6-7-17-10-4-2-1-3-5-10/h1-5,13H,6-9H2
InChIKeyCASPNZBDEOMXPD-UHFFFAOYSA-N
XLogP0.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.02
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

1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
1-(2-phenoxyethyl)-4-(2-phenoxyethylsulfonyl)piperazine-2,6-dione
CID 5337885
2-(2-phenoxyethyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 71943910
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1-(2-pyridin-3-yloxyethyl)pyrrolidine-2,5-dione
CID 143380588
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
5-ethyl-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 4579823
(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
CID 82156906

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)piperazine-2,6-dione?
The IUPAC name of 1-(2-phenoxyethyl)piperazine-2,6-dione (CID 66062056) is 1-(2-phenoxyethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(2-phenoxyethyl)piperazine-2,6-dione?
The canonical SMILES for 1-(2-phenoxyethyl)piperazine-2,6-dione is O=C1CNCC(=O)N1CCOc1ccccc1.
What is the InChIKey of 1-(2-phenoxyethyl)piperazine-2,6-dione?
The InChIKey is CASPNZBDEOMXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-8-13-9-12(16)14(11)6-7-17-10-4-2-1-3-5-10/h1-5,13H,6-9H2.
What are the key properties of 1-(2-phenoxyethyl)piperazine-2,6-dione?
1-(2-phenoxyethyl)piperazine-2,6-dione has a molecular weight of 234.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)piperazine-2,6-dione is sourced from PubChem (CID 66062056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).