2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide

C16H22FN3O2 — CID 136518581

IUPAC2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
SMILESCC(=O)N(C)CC(=O)NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-12(21)19(2)11-16(22)18-13-6-5-9-20(10-13)15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,18,22)
InChIKeyWKTHPUPNCORRGB-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.39
Rot. Bonds4

About 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide

2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide (PubChem CID 136518581) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
PubChem CID136518581
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
SMILESCC(=O)N(C)CC(=O)NC1CCCN(c2ccccc2F)C1
InChIInChI=1S/C16H22FN3O2/c1-12(21)19(2)11-16(22)18-13-6-5-9-20(10-13)15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,18,22)
InChIKeyWKTHPUPNCORRGB-UHFFFAOYSA-N
XLogP1.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide (CID 136518581) is 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide is CC(=O)N(C)CC(=O)NC1CCCN(c2ccccc2F)C1.
What is the InChIKey of 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide?
The InChIKey is WKTHPUPNCORRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-12(21)19(2)11-16(22)18-13-6-5-9-20(10-13)15-8-4-3-7-14(15)17/h3-4,7-8,13H,5-6,9-11H2,1-2H3,(H,18,22).
What are the key properties of 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide?
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 136518581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).