4-(4-acetyl-2-fluorophenyl)piperidin-2-one

C13H14FNO2 — CID 53417743

IUPAC4-(4-acetyl-2-fluorophenyl)piperidin-2-one
SMILESCC(=O)c1ccc(C2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C13H14FNO2/c1-8(16)9-2-3-11(12(14)6-9)10-4-5-15-13(17)7-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,17)
InChIKeyDOBQNDFTPPYWTG-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.02
Rot. Bonds2

About 4-(4-acetyl-2-fluorophenyl)piperidin-2-one

4-(4-acetyl-2-fluorophenyl)piperidin-2-one (PubChem CID 53417743) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)piperidin-2-one
PubChem CID53417743
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name4-(4-acetyl-2-fluorophenyl)piperidin-2-one
SMILESCC(=O)c1ccc(C2CCNC(=O)C2)c(F)c1
InChIInChI=1S/C13H14FNO2/c1-8(16)9-2-3-11(12(14)6-9)10-4-5-15-13(17)7-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,17)
InChIKeyDOBQNDFTPPYWTG-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)piperidin-2-one?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)piperidin-2-one (CID 53417743) is 4-(4-acetyl-2-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)piperidin-2-one?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)piperidin-2-one is CC(=O)c1ccc(C2CCNC(=O)C2)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)piperidin-2-one?
The InChIKey is DOBQNDFTPPYWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8(16)9-2-3-11(12(14)6-9)10-4-5-15-13(17)7-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,17).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)piperidin-2-one?
4-(4-acetyl-2-fluorophenyl)piperidin-2-one has a molecular weight of 235.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 53417743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).