3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C13H15F3N2O2 — CID 3237769

IUPAC3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-1-2-6-11(10)17-12(20)18-7-3-4-9(19)8-18/h1-2,5-6,9,19H,3-4,7-8H2,(H,17,20)
InChIKeyFCYNOKCBZHYORZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.69
Rot. Bonds1

About 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 3237769) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID3237769
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)N1CCCC(O)C1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-1-2-6-11(10)17-12(20)18-7-3-4-9(19)8-18/h1-2,5-6,9,19H,3-4,7-8H2,(H,17,20)
InChIKeyFCYNOKCBZHYORZ-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 3237769) is 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is FCYNOKCBZHYORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)10-5-1-2-6-11(10)17-12(20)18-7-3-4-9(19)8-18/h1-2,5-6,9,19H,3-4,7-8H2,(H,17,20).
What are the key properties of 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 3237769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).