tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C20H26F3N3O5 — CID 86666516

IUPACtert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(CN3CCOC3=O)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H26F3N3O5/c1-19(2,3)31-18(28)25-6-4-14(5-7-25)30-16-11-13(10-15(24-16)20(21,22)23)12-26-8-9-29-17(26)27/h10-11,14H,4-9,12H2,1-3H3
InChIKeySJYKUIIDFFUHLR-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 86666516) has the molecular formula C20H26F3N3O5 and a molecular weight of 445.44 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID86666516
Molecular FormulaC20H26F3N3O5
Molecular Weight445.44 g/mol
Exact Mass445.18
IUPAC Nametert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(CN3CCOC3=O)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C20H26F3N3O5/c1-19(2,3)31-18(28)25-6-4-14(5-7-25)30-16-11-13(10-15(24-16)20(21,22)23)12-26-8-9-29-17(26)27/h10-11,14H,4-9,12H2,1-3H3
InChIKeySJYKUIIDFFUHLR-UHFFFAOYSA-N
XLogP3.83
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

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Related Compounds

(3R)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517020
(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide
CID 122517043
N-ethyl-N-(3-methylphenyl)-2-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]acetamide
CID 168271423
(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-[(6-methyl-2-pyridyl)oxymethyl]oxazolidin-2-one
CID 497372
(3R)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 122516814
US11072585, Example 31
CID 122516815
1-[2-[4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride
CID 122516823
US11072585, Example 101
CID 122516824
1-[(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid
CID 122516919
US11072585, Example 32
CID 122517067
US11072585, Example 41
CID 122536431
(3S)-3-[4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 132253120

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 86666516) is tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cc(CN3CCOC3=O)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is SJYKUIIDFFUHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O5/c1-19(2,3)31-18(28)25-6-4-14(5-7-25)30-16-11-13(10-15(24-16)20(21,22)23)12-26-8-9-29-17(26)27/h10-11,14H,4-9,12H2,1-3H3.
What are the key properties of tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 445.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 86666516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).