2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide

C15H27F3N2O — CID 122159092

IUPAC2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide
SMILESCCCCC(C)C(=O)NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-3-4-6-12(2)14(21)19-9-13-7-5-8-20(10-13)11-15(16,17)18/h12-13H,3-11H2,1-2H3,(H,19,21)
InChIKeyXQVSLYNQWXFJDG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.20
Rot. Bonds7

About 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide

2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide (PubChem CID 122159092) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide
PubChem CID122159092
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide
SMILESCCCCC(C)C(=O)NCC1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C15H27F3N2O/c1-3-4-6-12(2)14(21)19-9-13-7-5-8-20(10-13)11-15(16,17)18/h12-13H,3-11H2,1-2H3,(H,19,21)
InChIKeyXQVSLYNQWXFJDG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide?
The IUPAC name of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide (CID 122159092) is 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide.
What is the SMILES notation for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide?
The canonical SMILES for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide is CCCCC(C)C(=O)NCC1CCCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide?
The InChIKey is XQVSLYNQWXFJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-4-6-12(2)14(21)19-9-13-7-5-8-20(10-13)11-15(16,17)18/h12-13H,3-11H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide?
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide has a molecular weight of 308.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]hexanamide is sourced from PubChem (CID 122159092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).