4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid

C13H19F3N2O2 — CID 172774326

IUPAC4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCC3(C2)CC3(F)F)C(F)C1
InChIInChI=1S/C13H19F3N2O2/c14-9-6-17(11(19)20)5-2-10(9)18-4-1-3-12(8-18)7-13(12,15)16/h9-10H,1-8H2,(H,19,20)
InChIKeyNJKPGKXRTBIQHO-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.20
Rot. Bonds1

About 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid

4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid (PubChem CID 172774326) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
PubChem CID172774326
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2CCCC3(C2)CC3(F)F)C(F)C1
InChIInChI=1S/C13H19F3N2O2/c14-9-6-17(11(19)20)5-2-10(9)18-4-1-3-12(8-18)7-13(12,15)16/h9-10H,1-8H2,(H,19,20)
InChIKeyNJKPGKXRTBIQHO-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid (CID 172774326) is 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid is O=C(O)N1CCC(N2CCCC3(C2)CC3(F)F)C(F)C1.
What is the InChIKey of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is NJKPGKXRTBIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c14-9-6-17(11(19)20)5-2-10(9)18-4-1-3-12(8-18)7-13(12,15)16/h9-10H,1-8H2,(H,19,20).
What are the key properties of 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid?
4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 292.30 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 172774326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).