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

C22H24F3N3O3 — CID 45353519

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCC(NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1
InChIInChI=1S/C22H24F3N3O3/c1-15(16-5-3-2-4-6-16)27-20(29)14-31-21(30)17-9-11-28(12-10-17)19-8-7-18(13-26-19)22(23,24)25/h2-8,13,15,17H,9-12,14H2,1H3,(H,27,29)
InChIKeyMAUUODQDDMVHIF-UHFFFAOYSA-N
MW435.45 g/mol
LogP3.74
Rot. Bonds6

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

[2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 45353519) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
PubChem CID45353519
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
SMILESCC(NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1
InChIInChI=1S/C22H24F3N3O3/c1-15(16-5-3-2-4-6-16)27-20(29)14-31-21(30)17-9-11-28(12-10-17)19-8-7-18(13-26-19)22(23,24)25/h2-8,13,15,17H,9-12,14H2,1H3,(H,27,29)
InChIKeyMAUUODQDDMVHIF-UHFFFAOYSA-N
XLogP3.74
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate (CID 45353519) is [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is CC(NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is MAUUODQDDMVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-15(16-5-3-2-4-6-16)27-20(29)14-31-21(30)17-9-11-28(12-10-17)19-8-7-18(13-26-19)22(23,24)25/h2-8,13,15,17H,9-12,14H2,1H3,(H,27,29).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate?
[2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 435.45 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 45353519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).