[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate

C18H20F5N3O4 — CID 171523910

IUPAC[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESCC1CCC(=O)N([C@H]2CN(C(=O)Oc3ccc(OC(F)(F)F)nc3)CC(F)(F)C2)C1
InChIInChI=1S/C18H20F5N3O4/c1-11-2-5-15(27)26(8-11)12-6-17(19,20)10-25(9-12)16(28)29-13-3-4-14(24-7-13)30-18(21,22)23/h3-4,7,11-12H,2,5-6,8-10H2,1H3/t11?,12-/m1/s1
InChIKeyOSEUUXVFRSMSHG-PIJUOVFKSA-N
MW437.37 g/mol
LogP3.45
Rot. Bonds3

About [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate

[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523910) has the molecular formula C18H20F5N3O4 and a molecular weight of 437.37 g/mol. Its IUPAC name is [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID171523910
Molecular FormulaC18H20F5N3O4
Molecular Weight437.37 g/mol
Exact Mass437.14
IUPAC Name[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESCC1CCC(=O)N([C@H]2CN(C(=O)Oc3ccc(OC(F)(F)F)nc3)CC(F)(F)C2)C1
InChIInChI=1S/C18H20F5N3O4/c1-11-2-5-15(27)26(8-11)12-6-17(19,20)10-25(9-12)16(28)29-13-3-4-14(24-7-13)30-18(21,22)23/h3-4,7,11-12H,2,5-6,8-10H2,1H3/t11?,12-/m1/s1
InChIKeyOSEUUXVFRSMSHG-PIJUOVFKSA-N
XLogP3.45
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523813
[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523924
(4-chlorophenyl) 3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523792
(4-cyanophenyl) (5R)-3,3-difluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523825
tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523993
[4-(trifluoromethoxy)phenyl] (3S,5R)-3-fluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523963
(8S,9aR)-8-(5-cyclopropylpyrazin-2-yl)oxy-2-[3-(trifluoromethoxy)benzoyl]-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepin-5-one
CID 90217819
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
CID 167819278
1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133492261
tert-butyl (8R,9aR)-8-(5-cyclopropylpyrazin-2-yl)oxy-5-oxo-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[1,2-a][1,4]diazepine-2-carboxylate
CID 86723196
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989676

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 171523910) is [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate is CC1CCC(=O)N([C@H]2CN(C(=O)Oc3ccc(OC(F)(F)F)nc3)CC(F)(F)C2)C1.
What is the InChIKey of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is OSEUUXVFRSMSHG-PIJUOVFKSA-N. The full InChI is InChI=1S/C18H20F5N3O4/c1-11-2-5-15(27)26(8-11)12-6-17(19,20)10-25(9-12)16(28)29-13-3-4-14(24-7-13)30-18(21,22)23/h3-4,7,11-12H,2,5-6,8-10H2,1H3/t11?,12-/m1/s1.
What are the key properties of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate?
[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 437.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).