[2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate

C22H24F3N3O3 — CID 24981210

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1ccccc1
InChIInChI=1S/C22H24F3N3O3/c23-22(24,25)18-6-7-19(27-14-18)28-12-9-17(10-13-28)21(30)31-15-20(29)26-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,26,29)
InChIKeyUFZBQKMRWAVGKQ-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.22
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 24981210) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID24981210
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1ccccc1
InChIInChI=1S/C22H24F3N3O3/c23-22(24,25)18-6-7-19(27-14-18)28-12-9-17(10-13-28)21(30)31-15-20(29)26-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,26,29)
InChIKeyUFZBQKMRWAVGKQ-UHFFFAOYSA-N
XLogP3.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (CID 24981210) is [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is UFZBQKMRWAVGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c23-22(24,25)18-6-7-19(27-14-18)28-12-9-17(10-13-28)21(30)31-15-20(29)26-11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2,(H,26,29).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 435.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 24981210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).