1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione

C17H13F3N2O2 — CID 5311542

IUPAC1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)CC(=O)N1c1ccccn1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)13-6-4-11(5-7-13)12-9-15(23)22(16(24)10-12)14-3-1-2-8-21-14/h1-8,12H,9-10H2
InChIKeyIRNJNJNLLRUGEG-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.54
Rot. Bonds2

About 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione

1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione (PubChem CID 5311542) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
PubChem CID5311542
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESO=C1CC(c2ccc(C(F)(F)F)cc2)CC(=O)N1c1ccccn1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)13-6-4-11(5-7-13)12-9-15(23)22(16(24)10-12)14-3-1-2-8-21-14/h1-8,12H,9-10H2
InChIKeyIRNJNJNLLRUGEG-UHFFFAOYSA-N
XLogP3.54
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione (CID 5311542) is 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione is O=C1CC(c2ccc(C(F)(F)F)cc2)CC(=O)N1c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The InChIKey is IRNJNJNLLRUGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)13-6-4-11(5-7-13)12-9-15(23)22(16(24)10-12)14-3-1-2-8-21-14/h1-8,12H,9-10H2.
What are the key properties of 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione?
1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione has a molecular weight of 334.30 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-[4-(trifluoromethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 5311542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).