4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione

C10H15N3O3 — CID 81169141

IUPAC4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1(N)CCC1
InChIInChI=1S/C10H15N3O3/c1-6-8(15)12-7(14)5-13(6)9(16)10(11)3-2-4-10/h6H,2-5,11H2,1H3,(H,12,14,15)
InChIKeyCOEISKOBOLRQII-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.26
Rot. Bonds1

About 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione

4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 81169141) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
PubChem CID81169141
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1(N)CCC1
InChIInChI=1S/C10H15N3O3/c1-6-8(15)12-7(14)5-13(6)9(16)10(11)3-2-4-10/h6H,2-5,11H2,1H3,(H,12,14,15)
InChIKeyCOEISKOBOLRQII-UHFFFAOYSA-N
XLogP-1.26
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-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-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione (CID 81169141) is 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1(N)CCC1.
What is the InChIKey of 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is COEISKOBOLRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-8(15)12-7(14)5-13(6)9(16)10(11)3-2-4-10/h6H,2-5,11H2,1H3,(H,12,14,15).
What are the key properties of 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione?
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 225.25 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 81169141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).