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

C16H16F5N3O4 — CID 171523813

IUPAC[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(OC(F)(F)F)nc1)N1C[C@H](N2CCCC2=O)CC(F)(F)C1
InChIInChI=1S/C16H16F5N3O4/c17-15(18)6-10(24-5-1-2-13(24)25)8-23(9-15)14(26)27-11-3-4-12(22-7-11)28-16(19,20)21/h3-4,7,10H,1-2,5-6,8-9H2/t10-/m1/s1
InChIKeyRWARHISFXYMGSQ-SNVBAGLBSA-N
MW409.31 g/mol
LogP2.81
Rot. Bonds3

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

[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523813) has the molecular formula C16H16F5N3O4 and a molecular weight of 409.31 g/mol. Its IUPAC name is [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID171523813
Molecular FormulaC16H16F5N3O4
Molecular Weight409.31 g/mol
Exact Mass409.11
IUPAC Name[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(OC(F)(F)F)nc1)N1C[C@H](N2CCCC2=O)CC(F)(F)C1
InChIInChI=1S/C16H16F5N3O4/c17-15(18)6-10(24-5-1-2-13(24)25)8-23(9-15)14(26)27-11-3-4-12(22-7-11)28-16(19,20)21/h3-4,7,10H,1-2,5-6,8-9H2/t10-/m1/s1
InChIKeyRWARHISFXYMGSQ-SNVBAGLBSA-N
XLogP2.81
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(5-methyl-2-oxopiperidin-1-yl)piperidine-1-carboxylate
CID 171523910
[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
(5-chloro-2-pyridinyl) (5R)-3,3-difluoro-5-(2-methyl-5-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171524092
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
5-(4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)-N-[[6-(trifluoromethoxy)-3-pyridinyl]methyl]-3,4-dihydropyrazole-2-carboxamide
CID 167170659
(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
[4-[4-(trifluoromethoxy)phenyl]phenyl] pyrrolidine-1-carboxylate
CID 141055177
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 171523813) is [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is O=C(Oc1ccc(OC(F)(F)F)nc1)N1C[C@H](N2CCCC2=O)CC(F)(F)C1.
What is the InChIKey of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is RWARHISFXYMGSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F5N3O4/c17-15(18)6-10(24-5-1-2-13(24)25)8-23(9-15)14(26)27-11-3-4-12(22-7-11)28-16(19,20)21/h3-4,7,10H,1-2,5-6,8-9H2/t10-/m1/s1.
What are the key properties of [6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
[6-(trifluoromethoxy)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 409.31 g/mol, XLogP of 2.81, 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-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).