N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

C20H23FN2O2 — CID 86972270

IUPACN-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c21-17-8-10-18(11-9-17)22-20(24)14-23-12-4-5-16(13-23)15-25-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15H2,(H,22,24)
InChIKeyPIFQFOOOXSSJOF-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.56
Rot. Bonds6

About N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972270) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972270
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC NameN-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c21-17-8-10-18(11-9-17)22-20(24)14-23-12-4-5-16(13-23)15-25-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15H2,(H,22,24)
InChIKeyPIFQFOOOXSSJOF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetamide
CID 110258523
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
2-[(3R)-3-aminopiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 102977214
2-(3-aminopiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 61297951
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972270) is N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is PIFQFOOOXSSJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-17-8-10-18(11-9-17)22-20(24)14-23-12-4-5-16(13-23)15-25-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15H2,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 342.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).