1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione

C14H19N3O3 — CID 43365786

IUPAC1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CCOc2ccc(N)cc2)C(=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-2-16-7-8-17(14(19)13(16)18)9-10-20-12-5-3-11(15)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyDAQDHJHOVVKCON-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.34
Rot. Bonds5

About 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione

1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione (PubChem CID 43365786) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione
PubChem CID43365786
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(CCOc2ccc(N)cc2)C(=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-2-16-7-8-17(14(19)13(16)18)9-10-20-12-5-3-11(15)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeyDAQDHJHOVVKCON-UHFFFAOYSA-N
XLogP0.34
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione (CID 43365786) is 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(CCOc2ccc(N)cc2)C(=O)C1=O.
What is the InChIKey of 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is DAQDHJHOVVKCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-16-7-8-17(14(19)13(16)18)9-10-20-12-5-3-11(15)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione?
1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 277.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)ethyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 43365786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).