2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide

C15H27F3N2O — CID 43603357

IUPAC2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H27F3N2O/c1-3-5-6-12(4-2)14(21)20(11-15(16,17)18)13-7-9-19-10-8-13/h12-13,19H,3-11H2,1-2H3
InChIKeyUUHCOJKNKRRNPD-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.35
Rot. Bonds7

About 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide

2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 43603357) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID43603357
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCCCC(CC)C(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H27F3N2O/c1-3-5-6-12(4-2)14(21)20(11-15(16,17)18)13-7-9-19-10-8-13/h12-13,19H,3-11H2,1-2H3
InChIKeyUUHCOJKNKRRNPD-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide (CID 43603357) is 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide is CCCCC(CC)C(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is UUHCOJKNKRRNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-5-6-12(4-2)14(21)20(11-15(16,17)18)13-7-9-19-10-8-13/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide?
2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 308.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 43603357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).