1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide

C13H22F3N3O3 — CID 175976842

IUPAC1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCC(=O)NCOCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O3/c1-2-19-5-3-10(4-6-19)12(21)17-7-11(20)18-9-22-8-13(14,15)16/h10H,2-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyZBCUBNXPKDGOIM-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.49
Rot. Bonds7

About 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide

1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 175976842) has the molecular formula C13H22F3N3O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide
PubChem CID175976842
Molecular FormulaC13H22F3N3O3
Molecular Weight325.33 g/mol
Exact Mass325.16
IUPAC Name1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCC(=O)NCOCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O3/c1-2-19-5-3-10(4-6-19)12(21)17-7-11(20)18-9-22-8-13(14,15)16/h10H,2-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyZBCUBNXPKDGOIM-UHFFFAOYSA-N
XLogP0.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide 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 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide (CID 175976842) is 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide is CCN1CCC(C(=O)NCC(=O)NCOCC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is ZBCUBNXPKDGOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O3/c1-2-19-5-3-10(4-6-19)12(21)17-7-11(20)18-9-22-8-13(14,15)16/h10H,2-9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide?
1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-oxo-2-(2,2,2-trifluoroethoxymethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 175976842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).