N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide

C12H19F3N2O2 — CID 82811551

IUPACN-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)NC1)C1CCCOC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-4-3-9(6-16-10)17-11(18)8-2-1-5-19-7-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyYOXGZKOYNSSPOU-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.21
Rot. Bonds2

About N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide

N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide (PubChem CID 82811551) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide
PubChem CID82811551
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)NC1)C1CCCOC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)10-4-3-9(6-16-10)17-11(18)8-2-1-5-19-7-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyYOXGZKOYNSSPOU-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide 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 N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide?
The IUPAC name of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide (CID 82811551) is N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide.
What is the SMILES notation for N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide?
The canonical SMILES for N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide is O=C(NC1CCC(C(F)(F)F)NC1)C1CCCOC1.
What is the InChIKey of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide?
The InChIKey is YOXGZKOYNSSPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)10-4-3-9(6-16-10)17-11(18)8-2-1-5-19-7-8/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide?
N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)piperidin-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 82811551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).