N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide

C20H23FN2O2 — CID 24816853

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O2/c21-19-11-5-4-7-16(19)13-23-12-6-8-17(14-23)22-20(24)15-25-18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2,(H,22,24)
InChIKeyNZGJSFNNJDDMOJ-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.99
Rot. Bonds6

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide (PubChem CID 24816853) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide
PubChem CID24816853
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O2/c21-19-11-5-4-7-16(19)13-23-12-6-8-17(14-23)22-20(24)15-25-18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2,(H,22,24)
InChIKeyNZGJSFNNJDDMOJ-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide (CID 24816853) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
The InChIKey is NZGJSFNNJDDMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-11-5-4-7-16(19)13-23-12-6-8-17(14-23)22-20(24)15-25-18-9-2-1-3-10-18/h1-5,7,9-11,17H,6,8,12-15H2,(H,22,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide has a molecular weight of 342.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 24816853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).