N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide

C16H23FN2O4S — CID 110335847

IUPACN-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C16H23FN2O4S/c1-23-9-10-24(21,22)19-8-4-6-14(12-19)16(20)18-11-13-5-2-3-7-15(13)17/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,18,20)
InChIKeyQPBRZUFITWSZSM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.13
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide

N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide (PubChem CID 110335847) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
PubChem CID110335847
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2F)C1
InChIInChI=1S/C16H23FN2O4S/c1-23-9-10-24(21,22)19-8-4-6-14(12-19)16(20)18-11-13-5-2-3-7-15(13)17/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,18,20)
InChIKeyQPBRZUFITWSZSM-UHFFFAOYSA-N
XLogP1.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid (3-methoxy-propyl)-amide
CID 3156754
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3239392
1-[(diethylamino)sulfonyl]-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3240785
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
N-{2-[benzyl(isopropyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3241559
1-{[butyl(ethyl)amino]sulfonyl}-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3244656

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide (CID 110335847) is N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide is COCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The InChIKey is QPBRZUFITWSZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-23-9-10-24(21,22)19-8-4-6-14(12-19)16(20)18-11-13-5-2-3-7-15(13)17/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110335847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).