3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid

C11H17FN2O3 — CID 67972575

IUPAC3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)CC(N2CCCCC2=O)C1
InChIInChI=1S/C11H17FN2O3/c12-8-5-9(7-13(6-8)11(16)17)14-4-2-1-3-10(14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyCIEIUQRLKOWNSR-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.09
Rot. Bonds1

About 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid

3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 67972575) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
PubChem CID67972575
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)CC(N2CCCCC2=O)C1
InChIInChI=1S/C11H17FN2O3/c12-8-5-9(7-13(6-8)11(16)17)14-4-2-1-3-10(14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyCIEIUQRLKOWNSR-UHFFFAOYSA-N
XLogP1.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid (CID 67972575) is 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid is O=C(O)N1CC(F)CC(N2CCCCC2=O)C1.
What is the InChIKey of 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is CIEIUQRLKOWNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c12-8-5-9(7-13(6-8)11(16)17)14-4-2-1-3-10(14)15/h8-9H,1-7H2,(H,16,17).
What are the key properties of 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid?
3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-oxopiperidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67972575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).