N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide

C9H15F3N2O — CID 90019873

IUPACN-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide
SMILESCC1(C)CCCN(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-8(2)4-3-5-14(6-8)13-7(15)9(10,11)12/h3-6H2,1-2H3,(H,13,15)
InChIKeyIACQIUJCJOETED-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.70
Rot. Bonds1

About N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide

N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide (PubChem CID 90019873) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide
PubChem CID90019873
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide
SMILESCC1(C)CCCN(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-8(2)4-3-5-14(6-8)13-7(15)9(10,11)12/h3-6H2,1-2H3,(H,13,15)
InChIKeyIACQIUJCJOETED-UHFFFAOYSA-N
XLogP1.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide 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 N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide (CID 90019873) is N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide is CC1(C)CCCN(NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
The InChIKey is IACQIUJCJOETED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-8(2)4-3-5-14(6-8)13-7(15)9(10,11)12/h3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide?
N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpiperidin-1-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 90019873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).