N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide

C11H19F3N2O2 — CID 39895279

IUPACN-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-6-4-15-10(17)8-16-5-2-3-9(7-16)11(12,13)14/h9H,2-8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyGCPGKXAJHVRZHT-SECBINFHSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds5

About N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 39895279) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID39895279
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-18-6-4-15-10(17)8-16-5-2-3-9(7-16)11(12,13)14/h9H,2-8H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyGCPGKXAJHVRZHT-SECBINFHSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]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 N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 39895279) is N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide is COCCNC(=O)CN1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is GCPGKXAJHVRZHT-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-18-6-4-15-10(17)8-16-5-2-3-9(7-16)11(12,13)14/h9H,2-8H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 39895279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).