(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide

C14H14F4N2O3 — CID 146122027

IUPAC(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2ccc(F)cc2OCC(F)(F)F)N1
InChIInChI=1S/C14H14F4N2O3/c15-8-4-5-9(11(6-8)23-7-14(16,17)18)20-13(22)10-2-1-3-12(21)19-10/h4-6,10H,1-3,7H2,(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyKWDFIHSUWURZIA-SNVBAGLBSA-N
MW334.27 g/mol
LogP2.37
Rot. Bonds4

About (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide

(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide (PubChem CID 146122027) has the molecular formula C14H14F4N2O3 and a molecular weight of 334.27 g/mol. Its IUPAC name is (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide
PubChem CID146122027
Molecular FormulaC14H14F4N2O3
Molecular Weight334.27 g/mol
Exact Mass334.09
IUPAC Name(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2ccc(F)cc2OCC(F)(F)F)N1
InChIInChI=1S/C14H14F4N2O3/c15-8-4-5-9(11(6-8)23-7-14(16,17)18)20-13(22)10-2-1-3-12(21)19-10/h4-6,10H,1-3,7H2,(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyKWDFIHSUWURZIA-SNVBAGLBSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide (CID 146122027) is (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)Nc2ccc(F)cc2OCC(F)(F)F)N1.
What is the InChIKey of (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide?
The InChIKey is KWDFIHSUWURZIA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F4N2O3/c15-8-4-5-9(11(6-8)23-7-14(16,17)18)20-13(22)10-2-1-3-12(21)19-10/h4-6,10H,1-3,7H2,(H,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide?
(2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide has a molecular weight of 334.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 146122027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).