2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione

C14H19F3N2O2 — CID 82793924

IUPAC2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-4-3-9(8-18-10)19-11(20)7-13(12(19)21)5-1-2-6-13/h9-10,18H,1-8H2
InChIKeyAQBSNGHLQMKQOH-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.99
Rot. Bonds1

About 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione

2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 82793924) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID82793924
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)10-4-3-9(8-18-10)19-11(20)7-13(12(19)21)5-1-2-6-13/h9-10,18H,1-8H2
InChIKeyAQBSNGHLQMKQOH-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-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 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione (CID 82793924) is 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1C1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is AQBSNGHLQMKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)10-4-3-9(8-18-10)19-11(20)7-13(12(19)21)5-1-2-6-13/h9-10,18H,1-8H2.
What are the key properties of 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 304.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)piperidin-3-yl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 82793924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).