[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

C23H26F3N3O4 — CID 55998880

IUPAC[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C23H26F3N3O4/c1-15(17-8-3-4-10-19(17)32-2)28-20(30)14-33-22(31)16-7-6-12-29(13-16)21-18(23(24,25)26)9-5-11-27-21/h3-5,8-11,15-16H,6-7,12-14H2,1-2H3,(H,28,30)
InChIKeyUIOJHGODHORXTQ-UHFFFAOYSA-N
MW465.47 g/mol
LogP3.75
Rot. Bonds7

About [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (PubChem CID 55998880) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
PubChem CID55998880
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C23H26F3N3O4/c1-15(17-8-3-4-10-19(17)32-2)28-20(30)14-33-22(31)16-7-6-12-29(13-16)21-18(23(24,25)26)9-5-11-27-21/h3-5,8-11,15-16H,6-7,12-14H2,1-2H3,(H,28,30)
InChIKeyUIOJHGODHORXTQ-UHFFFAOYSA-N
XLogP3.75
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate with MolForge

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55712443
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55999687
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55998612
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55958777
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215
N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55974457
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641119

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (CID 55998880) is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.
What is the SMILES notation for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The canonical SMILES for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is COc1ccccc1C(C)NC(=O)COC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The InChIKey is UIOJHGODHORXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-15(17-8-3-4-10-19(17)32-2)28-20(30)14-33-22(31)16-7-6-12-29(13-16)21-18(23(24,25)26)9-5-11-27-21/h3-5,8-11,15-16H,6-7,12-14H2,1-2H3,(H,28,30).
What are the key properties of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate has a molecular weight of 465.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is sourced from PubChem (CID 55998880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).