3-(2-amino-3,5-difluoroanilino)piperidin-2-one

C11H13F2N3O — CID 113325264

IUPAC3-(2-amino-3,5-difluoroanilino)piperidin-2-one
SMILESNc1c(F)cc(F)cc1NC1CCCNC1=O
InChIInChI=1S/C11H13F2N3O/c12-6-4-7(13)10(14)9(5-6)16-8-2-1-3-15-11(8)17/h4-5,8,16H,1-3,14H2,(H,15,17)
InChIKeyWZWHUNTZNKZQSM-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.24
Rot. Bonds2

About 3-(2-amino-3,5-difluoroanilino)piperidin-2-one

3-(2-amino-3,5-difluoroanilino)piperidin-2-one (PubChem CID 113325264) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-(2-amino-3,5-difluoroanilino)piperidin-2-one.

Molecular Properties

Compound Name3-(2-amino-3,5-difluoroanilino)piperidin-2-one
PubChem CID113325264
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-(2-amino-3,5-difluoroanilino)piperidin-2-one
SMILESNc1c(F)cc(F)cc1NC1CCCNC1=O
InChIInChI=1S/C11H13F2N3O/c12-6-4-7(13)10(14)9(5-6)16-8-2-1-3-15-11(8)17/h4-5,8,16H,1-3,14H2,(H,15,17)
InChIKeyWZWHUNTZNKZQSM-UHFFFAOYSA-N
XLogP1.24
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-3,5-difluoroanilino)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3,5-difluoroanilino)piperidin-2-one?
The IUPAC name of 3-(2-amino-3,5-difluoroanilino)piperidin-2-one (CID 113325264) is 3-(2-amino-3,5-difluoroanilino)piperidin-2-one.
What is the SMILES notation for 3-(2-amino-3,5-difluoroanilino)piperidin-2-one?
The canonical SMILES for 3-(2-amino-3,5-difluoroanilino)piperidin-2-one is Nc1c(F)cc(F)cc1NC1CCCNC1=O.
What is the InChIKey of 3-(2-amino-3,5-difluoroanilino)piperidin-2-one?
The InChIKey is WZWHUNTZNKZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O/c12-6-4-7(13)10(14)9(5-6)16-8-2-1-3-15-11(8)17/h4-5,8,16H,1-3,14H2,(H,15,17).
What are the key properties of 3-(2-amino-3,5-difluoroanilino)piperidin-2-one?
3-(2-amino-3,5-difluoroanilino)piperidin-2-one has a molecular weight of 241.24 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3,5-difluoroanilino)piperidin-2-one is sourced from PubChem (CID 113325264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).