2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide

C15H16FN3O2 — CID 86798243

IUPAC2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CC#N)C2=O)c1
InChIInChI=1S/C15H16FN3O2/c1-10-4-5-11(16)13(9-10)19-8-2-3-12(15(19)21)18-14(20)6-7-17/h4-5,9,12H,2-3,6,8H2,1H3,(H,18,20)
InChIKeyGTZSNKRLOYVBIC-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.66
Rot. Bonds3

About 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide

2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide (PubChem CID 86798243) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide
PubChem CID86798243
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CC#N)C2=O)c1
InChIInChI=1S/C15H16FN3O2/c1-10-4-5-11(16)13(9-10)19-8-2-3-12(15(19)21)18-14(20)6-7-17/h4-5,9,12H,2-3,6,8H2,1H3,(H,18,20)
InChIKeyGTZSNKRLOYVBIC-UHFFFAOYSA-N
XLogP1.66
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide (CID 86798243) is 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide is Cc1ccc(F)c(N2CCCC(NC(=O)CC#N)C2=O)c1.
What is the InChIKey of 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is GTZSNKRLOYVBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-4-5-11(16)13(9-10)19-8-2-3-12(15(19)21)18-14(20)6-7-17/h4-5,9,12H,2-3,6,8H2,1H3,(H,18,20).
What are the key properties of 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide?
2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 86798243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).