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

C15H19FN2O — CID 62092486

IUPAC3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
SMILESO=C1NCCCC1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O/c16-12-4-1-3-10(7-12)11-8-13(9-11)18-14-5-2-6-17-15(14)19/h1,3-4,7,11,13-14,18H,2,5-6,8-9H2,(H,17,19)
InChIKeyPNOHZDLNMPTZOH-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.94
Rot. Bonds3

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

3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one (PubChem CID 62092486) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
PubChem CID62092486
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one
SMILESO=C1NCCCC1NC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN2O/c16-12-4-1-3-10(7-12)11-8-13(9-11)18-14-5-2-6-17-15(14)19/h1,3-4,7,11,13-14,18H,2,5-6,8-9H2,(H,17,19)
InChIKeyPNOHZDLNMPTZOH-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 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
The IUPAC name of 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one (CID 62092486) is 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
The canonical SMILES for 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one is O=C1NCCCC1NC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
The InChIKey is PNOHZDLNMPTZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-4-1-3-10(7-12)11-8-13(9-11)18-14-5-2-6-17-15(14)19/h1,3-4,7,11,13-14,18H,2,5-6,8-9H2,(H,17,19).
What are the key properties of 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one?
3-[[3-(3-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 3-[[3-(3-fluorophenyl)cyclobutyl]amino]piperidin-2-one is sourced from PubChem (CID 62092486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).