3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione

C13H13F3N2O3 — CID 146573108

IUPAC3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESCOc1cc(NC2CCC(=O)NC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3/c1-21-9-5-7(13(14,15)16)4-8(6-9)17-10-2-3-11(19)18-12(10)20/h4-6,10,17H,2-3H2,1H3,(H,18,19,20)
InChIKeyQWJBLNCRXSDPTP-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.93
Rot. Bonds3

About 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione

3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione (PubChem CID 146573108) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione
PubChem CID146573108
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione
SMILESCOc1cc(NC2CCC(=O)NC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3/c1-21-9-5-7(13(14,15)16)4-8(6-9)17-10-2-3-11(19)18-12(10)20/h4-6,10,17H,2-3H2,1H3,(H,18,19,20)
InChIKeyQWJBLNCRXSDPTP-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-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 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione (CID 146573108) is 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione is COc1cc(NC2CCC(=O)NC2=O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione?
The InChIKey is QWJBLNCRXSDPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-21-9-5-7(13(14,15)16)4-8(6-9)17-10-2-3-11(19)18-12(10)20/h4-6,10,17H,2-3H2,1H3,(H,18,19,20).
What are the key properties of 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione?
3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione has a molecular weight of 302.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-5-(trifluoromethyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 146573108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).