2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3N3O — CID 43607182

IUPAC2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H18F3N3O/c1-16(8-2-4-14-5-3-8)6-9(17)15-7-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,17)
InChIKeyHDBGFYFJQBZKLP-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.35
Rot. Bonds4

About 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43607182) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43607182
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C10H18F3N3O/c1-16(8-2-4-14-5-3-8)6-9(17)15-7-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,17)
InChIKeyHDBGFYFJQBZKLP-UHFFFAOYSA-N
XLogP0.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide 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-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 43607182) is 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HDBGFYFJQBZKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-16(8-2-4-14-5-3-8)6-9(17)15-7-10(11,12)13/h8,14H,2-7H2,1H3,(H,15,17).
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43607182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).