2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide

C13H23N3O3 — CID 66068236

IUPAC2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)CNC(CC)C1=O
InChIInChI=1S/C13H23N3O3/c1-4-9(5-2)15-11(17)8-16-12(18)7-14-10(6-3)13(16)19/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyMIIQPHIKFLCULE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.03
Rot. Bonds6

About 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide

2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide (PubChem CID 66068236) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide
PubChem CID66068236
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN1C(=O)CNC(CC)C1=O
InChIInChI=1S/C13H23N3O3/c1-4-9(5-2)15-11(17)8-16-12(18)7-14-10(6-3)13(16)19/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyMIIQPHIKFLCULE-UHFFFAOYSA-N
XLogP0.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide (CID 66068236) is 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN1C(=O)CNC(CC)C1=O.
What is the InChIKey of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide?
The InChIKey is MIIQPHIKFLCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-9(5-2)15-11(17)8-16-12(18)7-14-10(6-3)13(16)19/h9-10,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide?
2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide has a molecular weight of 269.34 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 66068236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).