N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide

C17H25FN2O3S — CID 113004651

IUPACN-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O3S/c1-2-13-24(22,23)20-11-8-15(9-12-20)17(21)19-10-7-14-5-3-4-6-16(14)18/h3-6,15H,2,7-13H2,1H3,(H,19,21)
InChIKeyCYZPVIYCZXZLOJ-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.94
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 113004651) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID113004651
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O3S/c1-2-13-24(22,23)20-11-8-15(9-12-20)17(21)19-10-7-14-5-3-4-6-16(14)18/h3-6,15H,2,7-13H2,1H3,(H,19,21)
InChIKeyCYZPVIYCZXZLOJ-UHFFFAOYSA-N
XLogP1.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
1-(2-methoxyethylsulfonyl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110335435
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149058
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
1-[(2-fluorophenyl)methyl]-4-(1-propylsulfonylpiperidin-4-yl)piperidine
CID 155495769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide (CID 113004651) is N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is CYZPVIYCZXZLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-2-13-24(22,23)20-11-8-15(9-12-20)17(21)19-10-7-14-5-3-4-6-16(14)18/h3-6,15H,2,7-13H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113004651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).