N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C12H19F3N2O2 — CID 114908663

IUPACN-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CCOCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-1-2-10(16-7-8)11(18)17-9-3-5-19-6-4-9/h8-10,16H,1-7H2,(H,17,18)
InChIKeyJRMXRJBUHUOJIJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.21
Rot. Bonds2

About N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908663) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908663
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(NC1CCOCC1)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)8-1-2-10(16-7-8)11(18)17-9-3-5-19-6-4-9/h8-10,16H,1-7H2,(H,17,18)
InChIKeyJRMXRJBUHUOJIJ-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

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908663) is N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(NC1CCOCC1)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is JRMXRJBUHUOJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)8-1-2-10(16-7-8)11(18)17-9-3-5-19-6-4-9/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-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-(oxan-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).