3-(4-amino-2-fluoroanilino)piperidin-2-one

C11H14FN3O — CID 62093075

IUPAC3-(4-amino-2-fluoroanilino)piperidin-2-one
SMILESNc1ccc(NC2CCCNC2=O)c(F)c1
InChIInChI=1S/C11H14FN3O/c12-8-6-7(13)3-4-9(8)15-10-2-1-5-14-11(10)16/h3-4,6,10,15H,1-2,5,13H2,(H,14,16)
InChIKeyJIYZAJDXWLTRGM-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.10
Rot. Bonds2

About 3-(4-amino-2-fluoroanilino)piperidin-2-one

3-(4-amino-2-fluoroanilino)piperidin-2-one (PubChem CID 62093075) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(4-amino-2-fluoroanilino)piperidin-2-one.

Molecular Properties

Compound Name3-(4-amino-2-fluoroanilino)piperidin-2-one
PubChem CID62093075
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-(4-amino-2-fluoroanilino)piperidin-2-one
SMILESNc1ccc(NC2CCCNC2=O)c(F)c1
InChIInChI=1S/C11H14FN3O/c12-8-6-7(13)3-4-9(8)15-10-2-1-5-14-11(10)16/h3-4,6,10,15H,1-2,5,13H2,(H,14,16)
InChIKeyJIYZAJDXWLTRGM-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-fluoroanilino)piperidin-2-one?
The IUPAC name of 3-(4-amino-2-fluoroanilino)piperidin-2-one (CID 62093075) is 3-(4-amino-2-fluoroanilino)piperidin-2-one.
What is the SMILES notation for 3-(4-amino-2-fluoroanilino)piperidin-2-one?
The canonical SMILES for 3-(4-amino-2-fluoroanilino)piperidin-2-one is Nc1ccc(NC2CCCNC2=O)c(F)c1.
What is the InChIKey of 3-(4-amino-2-fluoroanilino)piperidin-2-one?
The InChIKey is JIYZAJDXWLTRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-6-7(13)3-4-9(8)15-10-2-1-5-14-11(10)16/h3-4,6,10,15H,1-2,5,13H2,(H,14,16).
What are the key properties of 3-(4-amino-2-fluoroanilino)piperidin-2-one?
3-(4-amino-2-fluoroanilino)piperidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-fluoroanilino)piperidin-2-one is sourced from PubChem (CID 62093075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).