5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one

C15H19FN2O — CID 55246444

IUPAC5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one
SMILESO=C1CCC(NC2CC(c3ccccc3F)C2)CN1
InChIInChI=1S/C15H19FN2O/c16-14-4-2-1-3-13(14)10-7-12(8-10)18-11-5-6-15(19)17-9-11/h1-4,10-12,18H,5-9H2,(H,17,19)
InChIKeyQIMRUVDKRSGCRG-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.94
Rot. Bonds3

About 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one

5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one (PubChem CID 55246444) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one
PubChem CID55246444
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one
SMILESO=C1CCC(NC2CC(c3ccccc3F)C2)CN1
InChIInChI=1S/C15H19FN2O/c16-14-4-2-1-3-13(14)10-7-12(8-10)18-11-5-6-15(19)17-9-11/h1-4,10-12,18H,5-9H2,(H,17,19)
InChIKeyQIMRUVDKRSGCRG-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
The IUPAC name of 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one (CID 55246444) is 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
The canonical SMILES for 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one is O=C1CCC(NC2CC(c3ccccc3F)C2)CN1.
What is the InChIKey of 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
The InChIKey is QIMRUVDKRSGCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-14-4-2-1-3-13(14)10-7-12(8-10)18-11-5-6-15(19)17-9-11/h1-4,10-12,18H,5-9H2,(H,17,19).
What are the key properties of 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one has a molecular weight of 262.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-fluorophenyl)cyclobutyl]amino]piperidin-2-one is sourced from PubChem (CID 55246444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).