[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C16H24F3N3O5 — CID 9059259

IUPAC[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O5/c1-15(2,3)13(25)22-6-4-10(5-7-22)12(24)27-8-11(23)21-14(26)20-9-16(17,18)19/h10H,4-9H2,1-3H3,(H2,20,21,23,26)
InChIKeyZJZTXVSRFZUEAH-UHFFFAOYSA-N
MW395.38 g/mol
LogP1.20
Rot. Bonds4

About [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 9059259) has the molecular formula C16H24F3N3O5 and a molecular weight of 395.38 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID9059259
Molecular FormulaC16H24F3N3O5
Molecular Weight395.38 g/mol
Exact Mass395.17
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C16H24F3N3O5/c1-15(2,3)13(25)22-6-4-10(5-7-22)12(24)27-8-11(23)21-14(26)20-9-16(17,18)19/h10H,4-9H2,1-3H3,(H2,20,21,23,26)
InChIKeyZJZTXVSRFZUEAH-UHFFFAOYSA-N
XLogP1.20
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 9059259) is [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is ZJZTXVSRFZUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O5/c1-15(2,3)13(25)22-6-4-10(5-7-22)12(24)27-8-11(23)21-14(26)20-9-16(17,18)19/h10H,4-9H2,1-3H3,(H2,20,21,23,26).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 395.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 9059259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).