1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one

C21H24FNO3S — CID 138514211

IUPAC1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one
SMILESCCCC1CC(=O)CC(C)N1S(=O)(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H24FNO3S/c1-3-6-17-14-18(24)13-15(2)23(17)27(25,26)19-11-9-16(10-12-19)20-7-4-5-8-21(20)22/h4-5,7-12,15,17H,3,6,13-14H2,1-2H3
InChIKeyXUNZPEWITLORFD-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one

1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one (PubChem CID 138514211) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one
PubChem CID138514211
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one
SMILESCCCC1CC(=O)CC(C)N1S(=O)(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C21H24FNO3S/c1-3-6-17-14-18(24)13-15(2)23(17)27(25,26)19-11-9-16(10-12-19)20-7-4-5-8-21(20)22/h4-5,7-12,15,17H,3,6,13-14H2,1-2H3
InChIKeyXUNZPEWITLORFD-UHFFFAOYSA-N
XLogP4.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one?
The IUPAC name of 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one (CID 138514211) is 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one is CCCC1CC(=O)CC(C)N1S(=O)(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one?
The InChIKey is XUNZPEWITLORFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c1-3-6-17-14-18(24)13-15(2)23(17)27(25,26)19-11-9-16(10-12-19)20-7-4-5-8-21(20)22/h4-5,7-12,15,17H,3,6,13-14H2,1-2H3.
What are the key properties of 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one?
1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one has a molecular weight of 389.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)phenyl]sulfonyl-2-methyl-6-propylpiperidin-4-one is sourced from PubChem (CID 138514211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).