1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

C17H25FN2O3S — CID 24640967

IUPAC1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O3S/c1-13(2)7-10-19-17(21)14-8-11-20(12-9-14)24(22,23)16-6-4-3-5-15(16)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyXQVSJHPIZGWKPG-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.39
Rot. Bonds6

About 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 24640967) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID24640967
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H25FN2O3S/c1-13(2)7-10-19-17(21)14-8-11-20(12-9-14)24(22,23)16-6-4-3-5-15(16)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)
InChIKeyXQVSJHPIZGWKPG-UHFFFAOYSA-N
XLogP2.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119501151
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
1-(2-fluorophenyl)sulfonyl-N-nonylpiperidine-4-carboxamide
CID 46549939
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 26253343
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide
CID 17018176
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55535881
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55420117
1-(2-fluorophenyl)sulfonyl-N-[2-(2-oxoazepan-1-yl)ethyl]piperidine-4-carboxamide
CID 39512997
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46351618

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide (CID 24640967) is 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is XQVSJHPIZGWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-13(2)7-10-19-17(21)14-8-11-20(12-9-14)24(22,23)16-6-4-3-5-15(16)18/h3-6,13-14H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 24640967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).