2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide

C13H18FN3O — CID 54988921

IUPAC2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C13H18FN3O/c14-10-6-11(15)8-12(7-10)17-3-1-9(2-4-17)5-13(16)18/h6-9H,1-5,15H2,(H2,16,18)
InChIKeyZKFPAWOAOBGADD-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.50
Rot. Bonds3

About 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide

2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide (PubChem CID 54988921) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
PubChem CID54988921
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C13H18FN3O/c14-10-6-11(15)8-12(7-10)17-3-1-9(2-4-17)5-13(16)18/h6-9H,1-5,15H2,(H2,16,18)
InChIKeyZKFPAWOAOBGADD-UHFFFAOYSA-N
XLogP1.50
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide 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 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide (CID 54988921) is 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2cc(N)cc(F)c2)CC1.
What is the InChIKey of 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide?
The InChIKey is ZKFPAWOAOBGADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c14-10-6-11(15)8-12(7-10)17-3-1-9(2-4-17)5-13(16)18/h6-9H,1-5,15H2,(H2,16,18).
What are the key properties of 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide?
2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide has a molecular weight of 251.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-5-fluorophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54988921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).