5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione

C8H15N3O2 — CID 88989237

IUPAC5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione
SMILESCCN1CC(CCN)NC(=O)C1=O
InChIInChI=1S/C8H15N3O2/c1-2-11-5-6(3-4-9)10-7(12)8(11)13/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyNJIMLTAOPQKMSN-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds3

About 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione

5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione (PubChem CID 88989237) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione
PubChem CID88989237
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione
SMILESCCN1CC(CCN)NC(=O)C1=O
InChIInChI=1S/C8H15N3O2/c1-2-11-5-6(3-4-9)10-7(12)8(11)13/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyNJIMLTAOPQKMSN-UHFFFAOYSA-N
XLogP-1.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione?
The IUPAC name of 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione (CID 88989237) is 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione.
What is the SMILES notation for 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione?
The canonical SMILES for 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione is CCN1CC(CCN)NC(=O)C1=O.
What is the InChIKey of 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione?
The InChIKey is NJIMLTAOPQKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-11-5-6(3-4-9)10-7(12)8(11)13/h6H,2-5,9H2,1H3,(H,10,12).
What are the key properties of 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione?
5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione has a molecular weight of 185.23 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-ethylpiperazine-2,3-dione is sourced from PubChem (CID 88989237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).