4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide

C21H24FN3O2 — CID 53145907

IUPAC4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccc(F)c2)c(N2CCCCC2)c1
InChIInChI=1S/C21H24FN3O2/c1-15(26)24-18-8-9-19(20(13-18)25-10-3-2-4-11-25)21(27)23-14-16-6-5-7-17(22)12-16/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyRLIRJTKOGAOMLU-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.70
Rot. Bonds5

About 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide

4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 53145907) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID53145907
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCc2cccc(F)c2)c(N2CCCCC2)c1
InChIInChI=1S/C21H24FN3O2/c1-15(26)24-18-8-9-19(20(13-18)25-10-3-2-4-11-25)21(27)23-14-16-6-5-7-17(22)12-16/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyRLIRJTKOGAOMLU-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide 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 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide (CID 53145907) is 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide is CC(=O)Nc1ccc(C(=O)NCc2cccc(F)c2)c(N2CCCCC2)c1.
What is the InChIKey of 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is RLIRJTKOGAOMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-15(26)24-18-8-9-19(20(13-18)25-10-3-2-4-11-25)21(27)23-14-16-6-5-7-17(22)12-16/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide?
4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 369.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 53145907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).