N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide

C15H25F3N2O2 — CID 71979287

IUPACN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)C1CCCOC1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)11-20-7-4-12(5-8-20)3-6-19-14(21)13-2-1-9-22-10-13/h12-13H,1-11H2,(H,19,21)
InChIKeyYYDCBFJLTSZDNN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.19
Rot. Bonds5

About N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide (PubChem CID 71979287) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
PubChem CID71979287
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCC1CCN(CC(F)(F)F)CC1)C1CCCOC1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)11-20-7-4-12(5-8-20)3-6-19-14(21)13-2-1-9-22-10-13/h12-13H,1-11H2,(H,19,21)
InChIKeyYYDCBFJLTSZDNN-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide (CID 71979287) is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide is O=C(NCCC1CCN(CC(F)(F)F)CC1)C1CCCOC1.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide?
The InChIKey is YYDCBFJLTSZDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c16-15(17,18)11-20-7-4-12(5-8-20)3-6-19-14(21)13-2-1-9-22-10-13/h12-13H,1-11H2,(H,19,21).
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide?
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 71979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).