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

C11H19N3O3 — CID 66067277

IUPAC2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)CNC(CC)C1=O
InChIInChI=1S/C11H19N3O3/c1-3-5-12-9(15)7-14-10(16)6-13-8(4-2)11(14)17/h8,13H,3-7H2,1-2H3,(H,12,15)
InChIKeyFANQJGBKVNFFTF-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.75
Rot. Bonds5

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

2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide (PubChem CID 66067277) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide
PubChem CID66067277
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)CN1C(=O)CNC(CC)C1=O
InChIInChI=1S/C11H19N3O3/c1-3-5-12-9(15)7-14-10(16)6-13-8(4-2)11(14)17/h8,13H,3-7H2,1-2H3,(H,12,15)
InChIKeyFANQJGBKVNFFTF-UHFFFAOYSA-N
XLogP-0.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.75
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-propylacetamide?
The IUPAC name of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide (CID 66067277) is 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide is CCCNC(=O)CN1C(=O)CNC(CC)C1=O.
What is the InChIKey of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide?
The InChIKey is FANQJGBKVNFFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-5-12-9(15)7-14-10(16)6-13-8(4-2)11(14)17/h8,13H,3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide?
2-(3-ethyl-2,6-dioxopiperazin-1-yl)-N-propylacetamide has a molecular weight of 241.29 g/mol, XLogP of -0.75, 5 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-propylacetamide is sourced from PubChem (CID 66067277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).