3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide

C15H27F3N2O — CID 82794139

IUPAC3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
SMILESCC(CC(=O)NC1CCC(C(F)(F)F)NC1)CC(C)(C)C
InChIInChI=1S/C15H27F3N2O/c1-10(8-14(2,3)4)7-13(21)20-11-5-6-12(19-9-11)15(16,17)18/h10-12,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyCIYQWFDUCKYWIC-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.25
Rot. Bonds4

About 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide

3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide (PubChem CID 82794139) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide.

Molecular Properties

Compound Name3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
PubChem CID82794139
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide
SMILESCC(CC(=O)NC1CCC(C(F)(F)F)NC1)CC(C)(C)C
InChIInChI=1S/C15H27F3N2O/c1-10(8-14(2,3)4)7-13(21)20-11-5-6-12(19-9-11)15(16,17)18/h10-12,19H,5-9H2,1-4H3,(H,20,21)
InChIKeyCIYQWFDUCKYWIC-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
The IUPAC name of 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide (CID 82794139) is 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide.
What is the SMILES notation for 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
The canonical SMILES for 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide is CC(CC(=O)NC1CCC(C(F)(F)F)NC1)CC(C)(C)C.
What is the InChIKey of 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
The InChIKey is CIYQWFDUCKYWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-10(8-14(2,3)4)7-13(21)20-11-5-6-12(19-9-11)15(16,17)18/h10-12,19H,5-9H2,1-4H3,(H,20,21).
What are the key properties of 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide?
3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide has a molecular weight of 308.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-N-[6-(trifluoromethyl)piperidin-3-yl]hexanamide is sourced from PubChem (CID 82794139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).