N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H19FN2O3S — CID 5123394

IUPACN-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17-8-6-12(7-9-17)14(18)16-10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyQZMZOJONSKRREH-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.11
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 5123394) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID5123394
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O3S/c1-21(19,20)17-8-6-12(7-9-17)14(18)16-10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18)
InChIKeyQZMZOJONSKRREH-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 755616
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 6463729
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 2921707
N-benzyl-1-((4-fluorophenyl)sulfonyl)piperidine-3-carboxamide
CID 2968290
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
1-(azepan-1-ylsulfonyl)-N-benzylpiperidine-4-carboxamide
CID 3242107

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 5123394) is N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is QZMZOJONSKRREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-21(19,20)17-8-6-12(7-9-17)14(18)16-10-11-2-4-13(15)5-3-11/h2-5,12H,6-10H2,1H3,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5123394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).