tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

C15H25FN2O3 — CID 67972227

IUPACtert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)C(N2CCCCC2=O)C1
InChIInChI=1S/C15H25FN2O3/c1-15(2,3)21-14(20)17-9-7-11(16)12(10-17)18-8-5-4-6-13(18)19/h11-12H,4-10H2,1-3H3
InChIKeyVVSXLSLGQXXTIP-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.35
Rot. Bonds1

About tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate

tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (PubChem CID 67972227) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
PubChem CID67972227
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Nametert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)C(N2CCCCC2=O)C1
InChIInChI=1S/C15H25FN2O3/c1-15(2,3)21-14(20)17-9-7-11(16)12(10-17)18-8-5-4-6-13(18)19/h11-12H,4-10H2,1-3H3
InChIKeyVVSXLSLGQXXTIP-UHFFFAOYSA-N
XLogP2.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate (CID 67972227) is tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)C(N2CCCCC2=O)C1.
What is the InChIKey of tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
The InChIKey is VVSXLSLGQXXTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O3/c1-15(2,3)21-14(20)17-9-7-11(16)12(10-17)18-8-5-4-6-13(18)19/h11-12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate?
tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate has a molecular weight of 300.37 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-fluoro-3-(2-oxopiperidin-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67972227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).