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

C11H19N3O3 — CID 66068228

IUPAC3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide
SMILESCCC1NCC(=O)N(CCC(=O)N(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-4-8-11(17)14(10(16)7-12-8)6-5-9(15)13(2)3/h8,12H,4-7H2,1-3H3
InChIKeyKEFFVJWSJRVHQL-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.80
Rot. Bonds4

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

3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide (PubChem CID 66068228) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide
PubChem CID66068228
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide
SMILESCCC1NCC(=O)N(CCC(=O)N(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-4-8-11(17)14(10(16)7-12-8)6-5-9(15)13(2)3/h8,12H,4-7H2,1-3H3
InChIKeyKEFFVJWSJRVHQL-UHFFFAOYSA-N
XLogP-0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
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 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide (CID 66068228) is 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide is CCC1NCC(=O)N(CCC(=O)N(C)C)C1=O.
What is the InChIKey of 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is KEFFVJWSJRVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-8-11(17)14(10(16)7-12-8)6-5-9(15)13(2)3/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide?
3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 241.29 g/mol, XLogP of -0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2,6-dioxopiperazin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 66068228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).