N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

C13H23F3N2O3 — CID 155407758

IUPACN-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC(C)C)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O.C2HF3O2/c1-9(2)8-13(10(3)14)11-4-6-12-7-5-11;3-2(4,5)1(6)7/h9,11-12H,4-8H2,1-3H3;(H,6,7)
InChIKeyRDWVNGSAEVGPJT-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.88
Rot. Bonds3

About N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155407758) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155407758
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC NameN-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC(C)C)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H22N2O.C2HF3O2/c1-9(2)8-13(10(3)14)11-4-6-12-7-5-11;3-2(4,5)1(6)7/h9,11-12H,4-8H2,1-3H3;(H,6,7)
InChIKeyRDWVNGSAEVGPJT-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid 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-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 155407758) is N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is CC(=O)N(CC(C)C)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is RDWVNGSAEVGPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2HF3O2/c1-9(2)8-13(10(3)14)11-4-6-12-7-5-11;3-2(4,5)1(6)7/h9,11-12H,4-8H2,1-3H3;(H,6,7).
What are the key properties of N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 312.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).