tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate

C11H17F3N2O3 — CID 15817296

IUPACtert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)(F)F)CCCNC1=O
InChIInChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(11(12,13)14)5-4-6-15-7(10)17/h4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNIUWIGGGPOVCFV-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate

tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate (PubChem CID 15817296) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate
PubChem CID15817296
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nametert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)(F)F)CCCNC1=O
InChIInChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(11(12,13)14)5-4-6-15-7(10)17/h4-6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNIUWIGGGPOVCFV-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate (CID 15817296) is tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1(C(F)(F)F)CCCNC1=O.
What is the InChIKey of tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate?
The InChIKey is NIUWIGGGPOVCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-9(2,3)19-8(18)16-10(11(12,13)14)5-4-6-15-7(10)17/h4-6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate?
tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate has a molecular weight of 282.26 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-3-(trifluoromethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 15817296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).