[2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate

C11H17F3N2O4 — CID 69027483

IUPAC[2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate
SMILESCN(C)C(=O)C(OC(=O)C(F)(F)F)OC1CCNCC1
InChIInChI=1S/C11H17F3N2O4/c1-16(2)8(17)9(20-10(18)11(12,13)14)19-7-3-5-15-6-4-7/h7,9,15H,3-6H2,1-2H3
InChIKeyZYHOJTWKWREVCL-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.27
Rot. Bonds4

About [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate

[2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate (PubChem CID 69027483) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate
PubChem CID69027483
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name[2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate
SMILESCN(C)C(=O)C(OC(=O)C(F)(F)F)OC1CCNCC1
InChIInChI=1S/C11H17F3N2O4/c1-16(2)8(17)9(20-10(18)11(12,13)14)19-7-3-5-15-6-4-7/h7,9,15H,3-6H2,1-2H3
InChIKeyZYHOJTWKWREVCL-UHFFFAOYSA-N
XLogP0.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate 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-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate (CID 69027483) is [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate is CN(C)C(=O)C(OC(=O)C(F)(F)F)OC1CCNCC1.
What is the InChIKey of [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate?
The InChIKey is ZYHOJTWKWREVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-16(2)8(17)9(20-10(18)11(12,13)14)19-7-3-5-15-6-4-7/h7,9,15H,3-6H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate?
[2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate has a molecular weight of 298.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxo-1-piperidin-4-yloxyethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 69027483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).