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

C16H17F4N3O3 — CID 171523924

IUPAC[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(C(F)F)nc1)N1C[C@H](N2CCCC2=O)CC(F)(F)C1
InChIInChI=1S/C16H17F4N3O3/c17-14(18)12-4-3-11(7-21-12)26-15(25)22-8-10(6-16(19,20)9-22)23-5-1-2-13(23)24/h3-4,7,10,14H,1-2,5-6,8-9H2/t10-/m1/s1
InChIKeyLJGBMHONQWRXLO-SNVBAGLBSA-N
MW375.32 g/mol
LogP2.85
Rot. Bonds3

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

[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 171523924) has the molecular formula C16H17F4N3O3 and a molecular weight of 375.32 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID171523924
Molecular FormulaC16H17F4N3O3
Molecular Weight375.32 g/mol
Exact Mass375.12
IUPAC Name[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESO=C(Oc1ccc(C(F)F)nc1)N1C[C@H](N2CCCC2=O)CC(F)(F)C1
InChIInChI=1S/C16H17F4N3O3/c17-14(18)12-4-3-11(7-21-12)26-15(25)22-8-10(6-16(19,20)9-22)23-5-1-2-13(23)24/h3-4,7,10,14H,1-2,5-6,8-9H2/t10-/m1/s1
InChIKeyLJGBMHONQWRXLO-SNVBAGLBSA-N
XLogP2.85
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 171523924) is [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is O=C(Oc1ccc(C(F)F)nc1)N1C[C@H](N2CCCC2=O)CC(F)(F)C1.
What is the InChIKey of [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is LJGBMHONQWRXLO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F4N3O3/c17-14(18)12-4-3-11(7-21-12)26-15(25)22-8-10(6-16(19,20)9-22)23-5-1-2-13(23)24/h3-4,7,10,14H,1-2,5-6,8-9H2/t10-/m1/s1.
What are the key properties of [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
[6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 375.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-pyridinyl] (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171523924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).