2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C13H13F3N2O2 — CID 3242659

IUPAC2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h1,3-4,7,10H,2,5-6H2,(H,17,19)(H,18,20)
InChIKeyGSJAZOQOBWDOOP-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.17
Rot. Bonds2

About 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 3242659) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID3242659
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h1,3-4,7,10H,2,5-6H2,(H,17,19)(H,18,20)
InChIKeyGSJAZOQOBWDOOP-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 3242659) is 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C1NCCCC1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is GSJAZOQOBWDOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-12(20)10-5-2-6-17-11(10)19/h1,3-4,7,10H,2,5-6H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 3242659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).