tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

C15H24F2N2O3 — CID 171524090

IUPACtert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)C1=O
InChIInChI=1S/C15H24F2N2O3/c1-10-5-6-19(12(10)20)11-7-15(16,17)9-18(8-11)13(21)22-14(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1
InChIKeyCGJDKELDMOTRGS-RRKGBCIJSA-N
MW318.36 g/mol
LogP2.50
Rot. Bonds1

About tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate

tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (PubChem CID 171524090) has the molecular formula C15H24F2N2O3 and a molecular weight of 318.36 g/mol. Its IUPAC name is tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
PubChem CID171524090
Molecular FormulaC15H24F2N2O3
Molecular Weight318.36 g/mol
Exact Mass318.18
IUPAC Nametert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
SMILESCC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)C1=O
InChIInChI=1S/C15H24F2N2O3/c1-10-5-6-19(12(10)20)11-7-15(16,17)9-18(8-11)13(21)22-14(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1
InChIKeyCGJDKELDMOTRGS-RRKGBCIJSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate (CID 171524090) is tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is CC1CCN([C@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)C1=O.
What is the InChIKey of tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is CGJDKELDMOTRGS-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H24F2N2O3/c1-10-5-6-19(12(10)20)11-7-15(16,17)9-18(8-11)13(21)22-14(2,3)4/h10-11H,5-9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate?
tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 318.36 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 171524090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).