2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide

C15H21FN2O2 — CID 16895399

IUPAC2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-18-8-6-12(7-9-18)10-17-15(19)11-20-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyIFDKOZTZSLRPPO-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.66
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide

2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide (PubChem CID 16895399) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
PubChem CID16895399
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-18-8-6-12(7-9-18)10-17-15(19)11-20-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19)
InChIKeyIFDKOZTZSLRPPO-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenoxy)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 60855037
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
3-(2-fluorophenoxy)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 146402416
2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 108932815
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 90618902
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
2-(2-fluorophenoxy)-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
CID 90619345

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide (CID 16895399) is 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide is CN1CCC(CNC(=O)COc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
The InChIKey is IFDKOZTZSLRPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18-8-6-12(7-9-18)10-17-15(19)11-20-14-5-3-2-4-13(14)16/h2-5,12H,6-11H2,1H3,(H,17,19).
What are the key properties of 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide?
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide has a molecular weight of 280.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 16895399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).