3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one

C18H26FNO3S — CID 126852221

IUPAC3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)CS(=O)(=O)C1CCCN(C(=O)CCc2ccccc2F)C1
InChIInChI=1S/C18H26FNO3S/c1-14(2)13-24(22,23)16-7-5-11-20(12-16)18(21)10-9-15-6-3-4-8-17(15)19/h3-4,6,8,14,16H,5,7,9-13H2,1-2H3
InChIKeyDMIJJPCPQMFQIJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.82
Rot. Bonds6

About 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one (PubChem CID 126852221) has the molecular formula C18H26FNO3S and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one
PubChem CID126852221
Molecular FormulaC18H26FNO3S
Molecular Weight355.48 g/mol
Exact Mass355.16
IUPAC Name3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)CS(=O)(=O)C1CCCN(C(=O)CCc2ccccc2F)C1
InChIInChI=1S/C18H26FNO3S/c1-14(2)13-24(22,23)16-7-5-11-20(12-16)18(21)10-9-15-6-3-4-8-17(15)19/h3-4,6,8,14,16H,5,7,9-13H2,1-2H3
InChIKeyDMIJJPCPQMFQIJ-UHFFFAOYSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-(3-cyclohexylsulfonylazetidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 90593824
1-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 71806014
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 110799513
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
3-(2,6-dichlorophenyl)-1-[3-(2-methylpropylsulfonyl)azetidin-1-yl]propan-1-one
CID 90594180
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one (CID 126852221) is 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one is CC(C)CS(=O)(=O)C1CCCN(C(=O)CCc2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one?
The InChIKey is DMIJJPCPQMFQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3S/c1-14(2)13-24(22,23)16-7-5-11-20(12-16)18(21)10-9-15-6-3-4-8-17(15)19/h3-4,6,8,14,16H,5,7,9-13H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one has a molecular weight of 355.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126852221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).