N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C15H18FN5O2 — CID 75453354

IUPACN-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cn[nH]c1=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C15H18FN5O2/c16-11-3-1-5-13(7-11)20-6-2-4-12(8-20)18-14(22)9-21-10-17-19-15(21)23/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,18,22)(H,19,23)
InChIKeyZMMQVPTYDOSNKV-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.50
Rot. Bonds4

About N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 75453354) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID75453354
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC NameN-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESO=C(Cn1cn[nH]c1=O)NC1CCCN(c2cccc(F)c2)C1
InChIInChI=1S/C15H18FN5O2/c16-11-3-1-5-13(7-11)20-6-2-4-12(8-20)18-14(22)9-21-10-17-19-15(21)23/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,18,22)(H,19,23)
InChIKeyZMMQVPTYDOSNKV-UHFFFAOYSA-N
XLogP0.50
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-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 N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 75453354) is N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is O=C(Cn1cn[nH]c1=O)NC1CCCN(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is ZMMQVPTYDOSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c16-11-3-1-5-13(7-11)20-6-2-4-12(8-20)18-14(22)9-21-10-17-19-15(21)23/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,18,22)(H,19,23).
What are the key properties of N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 319.34 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)piperidin-3-yl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 75453354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).