ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate

C12H19F3N2O3 — CID 78914744

IUPACethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-20-11(19)9-3-5-17(6-4-9)10(18)7-16-8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHSNZJTISUZDFHF-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.94
Rot. Bonds5

About ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate (PubChem CID 78914744) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
PubChem CID78914744
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Nameethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-2-20-11(19)9-3-5-17(6-4-9)10(18)7-16-8-12(13,14)15/h9,16H,2-8H2,1H3
InChIKeyHSNZJTISUZDFHF-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate (CID 78914744) is ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
The InChIKey is HSNZJTISUZDFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-20-11(19)9-3-5-17(6-4-9)10(18)7-16-8-12(13,14)15/h9,16H,2-8H2,1H3.
What are the key properties of ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate has a molecular weight of 296.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 78914744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).