4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide

C10H18F3N3O2 — CID 63827119

IUPAC4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-6-3-15-8-1-4-16(5-2-8)9(14)17/h8,15H,1-7H2,(H2,14,17)
InChIKeyAKGMPKXZTPFBPY-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.70
Rot. Bonds5

About 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide

4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide (PubChem CID 63827119) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide
PubChem CID63827119
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-6-3-15-8-1-4-16(5-2-8)9(14)17/h8,15H,1-7H2,(H2,14,17)
InChIKeyAKGMPKXZTPFBPY-UHFFFAOYSA-N
XLogP0.70
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-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 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide (CID 63827119) is 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCCOCC(F)(F)F)CC1.
What is the InChIKey of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide?
The InChIKey is AKGMPKXZTPFBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)7-18-6-3-15-8-1-4-16(5-2-8)9(14)17/h8,15H,1-7H2,(H2,14,17).
What are the key properties of 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide?
4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2,2-trifluoroethoxy)ethylamino]piperidine-1-carboxamide is sourced from PubChem (CID 63827119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).