2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide

C13H24F3N3O — CID 79805040

IUPAC2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)N1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-11(2,3)19-7-5-9(6-8-19)18-10(20)12(4,17)13(14,15)16/h9H,5-8,17H2,1-4H3,(H,18,20)
InChIKeyHPIMZVJSCXHTIM-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79805040) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79805040
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(C)(C)N1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-11(2,3)19-7-5-9(6-8-19)18-10(20)12(4,17)13(14,15)16/h9H,5-8,17H2,1-4H3,(H,18,20)
InChIKeyHPIMZVJSCXHTIM-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79805040) is 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(C)(C)N1CCC(NC(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is HPIMZVJSCXHTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-11(2,3)19-7-5-9(6-8-19)18-10(20)12(4,17)13(14,15)16/h9H,5-8,17H2,1-4H3,(H,18,20).
What are the key properties of 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 295.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-tert-butylpiperidin-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79805040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).