tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

C17H22F3N3O4 — CID 86666505

IUPACtert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(C(N)=O)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H22F3N3O4/c1-16(2,3)27-15(25)23-6-4-11(5-7-23)26-13-9-10(14(21)24)8-12(22-13)17(18,19)20/h8-9,11H,4-7H2,1-3H3,(H2,21,24)
InChIKeyGAHRKFICDAXBRI-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.98
Rot. Bonds3

About tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 86666505) has the molecular formula C17H22F3N3O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID86666505
Molecular FormulaC17H22F3N3O4
Molecular Weight389.37 g/mol
Exact Mass389.16
IUPAC Nametert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2cc(C(N)=O)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H22F3N3O4/c1-16(2,3)27-15(25)23-6-4-11(5-7-23)26-13-9-10(14(21)24)8-12(22-13)17(18,19)20/h8-9,11H,4-7H2,1-3H3,(H2,21,24)
InChIKeyGAHRKFICDAXBRI-UHFFFAOYSA-N
XLogP2.98
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[6-ethenyl-2-(trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67954436
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-[2-piperidin-4-yloxy-6-(trifluoromethyl)-4-pyridinyl]propan-2-ol
CID 158423815
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-(6-aminopyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58167449
tert-butyl (3S)-3-[(6-amino-4-methyl-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 170725757
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
tert-butyl 4-(4-amino-2,3,5,6-tetradeuteriophenoxy)piperidine-1-carboxylate
CID 165111874
tert-butyl (3S)-3-[[6-amino-4-(difluoromethoxy)-2-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 156563484
tert-butyl (3R,4R)-4-methoxy-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 177204924
tert-butyl 4-(3-fluoro-5-formylphenoxy)piperidine-1-carboxylate
CID 86666498

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate (CID 86666505) is tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2cc(C(N)=O)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is GAHRKFICDAXBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O4/c1-16(2,3)27-15(25)23-6-4-11(5-7-23)26-13-9-10(14(21)24)8-12(22-13)17(18,19)20/h8-9,11H,4-7H2,1-3H3,(H2,21,24).
What are the key properties of tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 389.37 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 86666505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).