4-methyl-3-propylpiperazine-2,6-dione

C8H14N2O2 — CID 126984968

IUPAC4-methyl-3-propylpiperazine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CN1C
InChIInChI=1S/C8H14N2O2/c1-3-4-6-8(12)9-7(11)5-10(6)2/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyFBJKHNIJBZLULI-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.26
Rot. Bonds2

About 4-methyl-3-propylpiperazine-2,6-dione

4-methyl-3-propylpiperazine-2,6-dione (PubChem CID 126984968) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-methyl-3-propylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-methyl-3-propylpiperazine-2,6-dione
PubChem CID126984968
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-methyl-3-propylpiperazine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CN1C
InChIInChI=1S/C8H14N2O2/c1-3-4-6-8(12)9-7(11)5-10(6)2/h6H,3-5H2,1-2H3,(H,9,11,12)
InChIKeyFBJKHNIJBZLULI-UHFFFAOYSA-N
XLogP-0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-propylpiperazine-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

Related Compounds

2-propylthiomorpholine-3,5-dione
CID 173033584
3-tert-butyl-4-methylpiperazine-2,6-dione
CID 130597254
2-ethyl-3,5-dioxopiperazine-1-sulfonamide
CID 66067408
4-propylpiperazine-2,6-dione
CID 63787682
5-propyl-1-(trichloromethyl)imidazolidine-2,4-dione
CID 70446933
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
5-(2-ethyl-3,5-dioxopiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 66067149
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetonitrile
CID 66067150
1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606
4-(2-aminocycloheptyl)-3-ethylpiperazine-2,6-dione
CID 66067610
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propylpiperazine-2,6-dione?
The IUPAC name of 4-methyl-3-propylpiperazine-2,6-dione (CID 126984968) is 4-methyl-3-propylpiperazine-2,6-dione.
What is the SMILES notation for 4-methyl-3-propylpiperazine-2,6-dione?
The canonical SMILES for 4-methyl-3-propylpiperazine-2,6-dione is CCCC1C(=O)NC(=O)CN1C.
What is the InChIKey of 4-methyl-3-propylpiperazine-2,6-dione?
The InChIKey is FBJKHNIJBZLULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-4-6-8(12)9-7(11)5-10(6)2/h6H,3-5H2,1-2H3,(H,9,11,12).
What are the key properties of 4-methyl-3-propylpiperazine-2,6-dione?
4-methyl-3-propylpiperazine-2,6-dione has a molecular weight of 170.21 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propylpiperazine-2,6-dione is sourced from PubChem (CID 126984968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).