6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione

C13H17N3O2 — CID 64964210

IUPAC6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-2-11-13(18)15-9-12(17)16(11)8-5-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,18)
InChIKeyRKOGKRGRENJUHI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.36
Rot. Bonds4

About 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione

6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione (PubChem CID 64964210) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
PubChem CID64964210
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CCc1ccncc1
InChIInChI=1S/C13H17N3O2/c1-2-11-13(18)15-9-12(17)16(11)8-5-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,18)
InChIKeyRKOGKRGRENJUHI-UHFFFAOYSA-N
XLogP0.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione (CID 64964210) is 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CCc1ccncc1.
What is the InChIKey of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
The InChIKey is RKOGKRGRENJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-11-13(18)15-9-12(17)16(11)8-5-10-3-6-14-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,15,18).
What are the key properties of 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione?
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione has a molecular weight of 247.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64964210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).