N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

C13H21F3N2O2 — CID 43603384

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18(11-1-5-17-6-2-11)12(19)10-3-7-20-8-4-10/h10-11,17H,1-9H2
InChIKeyXYUGOCWBUVZTGR-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.56
Rot. Bonds3

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 43603384) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID43603384
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-18(11-1-5-17-6-2-11)12(19)10-3-7-20-8-4-10/h10-11,17H,1-9H2
InChIKeyXYUGOCWBUVZTGR-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 43603384) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is O=C(C1CCOCC1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is XYUGOCWBUVZTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-18(11-1-5-17-6-2-11)12(19)10-3-7-20-8-4-10/h10-11,17H,1-9H2.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 43603384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).