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

C17H25FN2O3S — CID 2964488

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3S/c1-13(2)9-10-19-17(21)14-4-3-11-20(12-14)24(22,23)16-7-5-15(18)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyMNMYMURMYMWXGX-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.39
Rot. Bonds6

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

1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide (PubChem CID 2964488) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
PubChem CID2964488
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H25FN2O3S/c1-13(2)9-10-19-17(21)14-4-3-11-20(12-14)24(22,23)16-7-5-15(18)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyMNMYMURMYMWXGX-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

(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
3-(benzenesulfonamido)-N-(4-methylcyclohexyl)propanamide
CID 24687507
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3158860
N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxamide
CID 3214767
(S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide
CID 9956417
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 11025116
Oxphos-IN-1
CID 162365284
(3R)-1-[4-(diethylsulfamoyl)phenyl]sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 162365409
4-[(3R)-3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-N,N-diethylbenzenesulfonamide
CID 162365417

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide (CID 2964488) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
The InChIKey is MNMYMURMYMWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-13(2)9-10-19-17(21)14-4-3-11-20(12-14)24(22,23)16-7-5-15(18)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-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-(4-fluorophenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide is sourced from PubChem (CID 2964488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).