3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione

C13H22N4O3 — CID 80551076

IUPAC3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H22N4O3/c1-9-11(19)15-10(18)8-17(9)12(20)13(2,3)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H,15,18,19)
InChIKeyYIPBWYLOJNQDIU-UHFFFAOYSA-N
MW282.34 g/mol
LogP-1.46
Rot. Bonds2

About 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione

3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione (PubChem CID 80551076) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione
PubChem CID80551076
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H22N4O3/c1-9-11(19)15-10(18)8-17(9)12(20)13(2,3)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H,15,18,19)
InChIKeyYIPBWYLOJNQDIU-UHFFFAOYSA-N
XLogP-1.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione with MolForge

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Related Compounds

4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione
CID 66073881
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylpiperazine-2,6-dione
CID 79810708
4-(2-tert-butylsulfanylacetyl)-3-methylpiperazine-2,6-dione
CID 66063693
4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076005
2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile
CID 66074464
2-methyl-2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)butanethioamide
CID 113270693
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
2-ethyl-2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)butanethioamide
CID 66074078
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-(4-tert-butylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione (CID 80551076) is 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione?
The InChIKey is YIPBWYLOJNQDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-9-11(19)15-10(18)8-17(9)12(20)13(2,3)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H,15,18,19).
What are the key properties of 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione?
3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione has a molecular weight of 282.34 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione is sourced from PubChem (CID 80551076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).