4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione

C12H16N4O2 — CID 83127640

IUPAC4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione
SMILESCNC(C)c1ccc(N2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C12H16N4O2/c1-8(13-2)10-4-3-9(5-14-10)16-6-11(17)15-12(18)7-16/h3-5,8,13H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyCWALBJMTVKHJQW-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.18
Rot. Bonds3

About 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione

4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione (PubChem CID 83127640) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione
PubChem CID83127640
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione
SMILESCNC(C)c1ccc(N2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C12H16N4O2/c1-8(13-2)10-4-3-9(5-14-10)16-6-11(17)15-12(18)7-16/h3-5,8,13H,6-7H2,1-2H3,(H,15,17,18)
InChIKeyCWALBJMTVKHJQW-UHFFFAOYSA-N
XLogP-0.18
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-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 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione (CID 83127640) is 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione is CNC(C)c1ccc(N2CC(=O)NC(=O)C2)cn1.
What is the InChIKey of 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione?
The InChIKey is CWALBJMTVKHJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(13-2)10-4-3-9(5-14-10)16-6-11(17)15-12(18)7-16/h3-5,8,13H,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione?
4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione has a molecular weight of 248.29 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 83127640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).