N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide

C18H24F5N3O4S — CID 10073569

IUPACN-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)N1CCC(c2ccc(CCC(F)(F)C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H24F5N3O4S/c1-16(2,15(27)25-28)31(29,30)26-9-6-13(7-10-26)14-4-3-12(11-24-14)5-8-17(19,20)18(21,22)23/h3-4,11,13,28H,5-10H2,1-2H3,(H,25,27)
InChIKeyDIXCEKMRINKFMZ-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.01
Rot. Bonds7

About N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide

N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide (PubChem CID 10073569) has the molecular formula C18H24F5N3O4S and a molecular weight of 473.46 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide
PubChem CID10073569
Molecular FormulaC18H24F5N3O4S
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC NameN-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide
SMILESCC(C)(C(=O)NO)S(=O)(=O)N1CCC(c2ccc(CCC(F)(F)C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H24F5N3O4S/c1-16(2,15(27)25-28)31(29,30)26-9-6-13(7-10-26)14-4-3-12(11-24-14)5-8-17(19,20)18(21,22)23/h3-4,11,13,28H,5-10H2,1-2H3,(H,25,27)
InChIKeyDIXCEKMRINKFMZ-UHFFFAOYSA-N
XLogP3.01
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(6-phenylpyridin-3-yl)butanamide
CID 51355299
N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(5-phenylpyridin-2-yl)butanamide
CID 51355300
N-hydroxy-N-(4-((4-(2-(3-methylpyridin-2-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54584025
N-hydroxy-N-(4-((4-(2-(2-methylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54586896
N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
CID 71737616
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-3-yl]propanamide
CID 45177389
1-[4-(6-Methyl-3-pyridinyl)piperidin-1-yl]-3-methylsulfonylpropan-1-one
CID 136529775
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-2-prop-2-enylpent-4-enamide
CID 9984336
N-hydroxy-4-methoxy-2-(2-methoxyethyl)-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylbutanamide
CID 9985290
4-[4-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10004596
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10005329

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide (CID 10073569) is N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide is CC(C)(C(=O)NO)S(=O)(=O)N1CCC(c2ccc(CCC(F)(F)C(F)(F)F)cn2)CC1.
What is the InChIKey of N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide?
The InChIKey is DIXCEKMRINKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F5N3O4S/c1-16(2,15(27)25-28)31(29,30)26-9-6-13(7-10-26)14-4-3-12(11-24-14)5-8-17(19,20)18(21,22)23/h3-4,11,13,28H,5-10H2,1-2H3,(H,25,27).
What are the key properties of N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide?
N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide has a molecular weight of 473.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpropanamide is sourced from PubChem (CID 10073569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).