3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H16N2O2 — CID 114695749

IUPAC3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1NCCCC1N1C(=O)C2CC2C1=O
InChIInChI=1S/C11H16N2O2/c1-6-9(3-2-4-12-6)13-10(14)7-5-8(7)11(13)15/h6-9,12H,2-5H2,1H3
InChIKeyROJYQUUZIKNLRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.13
Rot. Bonds1

About 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 114695749) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID114695749
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1NCCCC1N1C(=O)C2CC2C1=O
InChIInChI=1S/C11H16N2O2/c1-6-9(3-2-4-12-6)13-10(14)7-5-8(7)11(13)15/h6-9,12H,2-5H2,1H3
InChIKeyROJYQUUZIKNLRA-UHFFFAOYSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-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 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 114695749) is 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1NCCCC1N1C(=O)C2CC2C1=O.
What is the InChIKey of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is ROJYQUUZIKNLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-9(3-2-4-12-6)13-10(14)7-5-8(7)11(13)15/h6-9,12H,2-5H2,1H3.
What are the key properties of 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-3-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 114695749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).