tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate

C13H22N2O4 — CID 67033422

IUPACtert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2COC(=O)N2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(17)15-6-4-9(5-7-15)10-8-18-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyGDLFZWCVOZGZDG-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.74
Rot. Bonds1

About tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate (PubChem CID 67033422) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate
PubChem CID67033422
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2COC(=O)N2)CC1
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(17)15-6-4-9(5-7-15)10-8-18-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyGDLFZWCVOZGZDG-UHFFFAOYSA-N
XLogP1.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate (CID 67033422) is tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2COC(=O)N2)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate?
The InChIKey is GDLFZWCVOZGZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)19-12(17)15-6-4-9(5-7-15)10-8-18-11(16)14-10/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1,3-oxazolidin-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67033422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).