tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

C13H22FN3O3 — CID 122488996

IUPACtert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CCNC2=O)[C@H](F)C1
InChIInChI=1S/C13H22FN3O3/c1-13(2,3)20-12(19)16-6-4-10(9(14)8-16)17-7-5-15-11(17)18/h9-10H,4-8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyPNFQFDBVXCULSF-NXEZZACHSA-N
MW287.33 g/mol
LogP1.36
Rot. Bonds1

About tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (PubChem CID 122488996) has the molecular formula C13H22FN3O3 and a molecular weight of 287.33 g/mol. Its IUPAC name is tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
PubChem CID122488996
Molecular FormulaC13H22FN3O3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Nametert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N2CCNC2=O)[C@H](F)C1
InChIInChI=1S/C13H22FN3O3/c1-13(2,3)20-12(19)16-6-4-10(9(14)8-16)17-7-5-15-11(17)18/h9-10H,4-8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1
InChIKeyPNFQFDBVXCULSF-NXEZZACHSA-N
XLogP1.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate (CID 122488996) is tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N2CCNC2=O)[C@H](F)C1.
What is the InChIKey of tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
The InChIKey is PNFQFDBVXCULSF-NXEZZACHSA-N. The full InChI is InChI=1S/C13H22FN3O3/c1-13(2,3)20-12(19)16-6-4-10(9(14)8-16)17-7-5-15-11(17)18/h9-10H,4-8H2,1-3H3,(H,15,18)/t9-,10-/m1/s1.
What are the key properties of tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate?
tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate has a molecular weight of 287.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-3-fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 122488996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).