N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide

C16H23FN2O3S — CID 110823021

IUPACN-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-2-23(21,22)19-11-9-15(10-12-19)18-16(20)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,15H,2,5,8-12H2,1H3,(H,18,20)
InChIKeyGVTSSJVOJZBAQN-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.69
Rot. Bonds6

About N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide

N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide (PubChem CID 110823021) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
PubChem CID110823021
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
SMILESCCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-2-23(21,22)19-11-9-15(10-12-19)18-16(20)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,15H,2,5,8-12H2,1H3,(H,18,20)
InChIKeyGVTSSJVOJZBAQN-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
N-(1-ethylsulfonylpiperidin-4-yl)-2-(4-fluorophenoxy)acetamide
CID 110823029
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
2-(4-aminophenyl)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide;hydrochloride
CID 119702884
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55961209
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
N-[1-[2-(4-fluoro-N-propanoylanilino)ethyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 156782583

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide (CID 110823021) is N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide is CCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide?
The InChIKey is GVTSSJVOJZBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-2-23(21,22)19-11-9-15(10-12-19)18-16(20)8-5-13-3-6-14(17)7-4-13/h3-4,6-7,15H,2,5,8-12H2,1H3,(H,18,20).
What are the key properties of N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide?
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 110823021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).