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

C8H15N3O2 — CID 66062310

IUPAC3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione
SMILESCNCCN1CC(=O)NC(=O)C1C
InChIInChI=1S/C8H15N3O2/c1-6-8(13)10-7(12)5-11(6)4-3-9-2/h6,9H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyFVGPBVCNTFQWFJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.45
Rot. Bonds3

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

3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione (PubChem CID 66062310) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione
PubChem CID66062310
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione
SMILESCNCCN1CC(=O)NC(=O)C1C
InChIInChI=1S/C8H15N3O2/c1-6-8(13)10-7(12)5-11(6)4-3-9-2/h6,9H,3-5H2,1-2H3,(H,10,12,13)
InChIKeyFVGPBVCNTFQWFJ-UHFFFAOYSA-N
XLogP-1.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(tert-butylamino)ethyl]-3-methylpiperazine-2,6-dione
CID 107446487
3-methyl-4-[3-(propan-2-ylamino)propyl]piperazine-2,6-dione
CID 66062891
3-(2-methyl-3,5-dioxopiperazin-1-yl)propanal
CID 66060825
4-but-3-ynyl-3-methylpiperazine-2,6-dione
CID 66075629
3-methyl-4-(3-methyl-2-oxobutyl)piperazine-2,6-dione
CID 79395845
3-methyl-4-(3-oxo-3-phenylpropyl)piperazine-2,6-dione
CID 116691840
methyl 2-hydroxy-2-methyl-3-(2-methyl-3,5-dioxopiperazin-1-yl)propanoate
CID 66063553
4-[3-(4-fluorophenyl)-3-oxopropyl]-3-methylpiperazine-2,6-dione
CID 66062553
ethyl 6-(2-methyl-3,5-dioxopiperazin-1-yl)hexanoate
CID 66061766
3-methyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazine-2,6-dione
CID 104548056
4-[2-(4-iodophenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
CID 66061810
3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
CID 79233937

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione (CID 66062310) is 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione is CNCCN1CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione?
The InChIKey is FVGPBVCNTFQWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6-8(13)10-7(12)5-11(6)4-3-9-2/h6,9H,3-5H2,1-2H3,(H,10,12,13).
What are the key properties of 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione?
3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione has a molecular weight of 185.23 g/mol, XLogP of -1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(methylamino)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 66062310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).