4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid

C12H19F3N2O3 — CID 63126630

IUPAC4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-11(10(19)20)3-5-17(6-4-11)7-9(18)16-8-12(13,14)15/h2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyMYQJRERQCDEMMZ-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.24
Rot. Bonds5

About 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid

4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid (PubChem CID 63126630) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
PubChem CID63126630
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-11(10(19)20)3-5-17(6-4-11)7-9(18)16-8-12(13,14)15/h2-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyMYQJRERQCDEMMZ-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid (CID 63126630) is 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is MYQJRERQCDEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-11(10(19)20)3-5-17(6-4-11)7-9(18)16-8-12(13,14)15/h2-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).