4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide

C20H30FN3O5S — CID 10343370

IUPAC4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCCCCc1ccc(C2(F)CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
InChIInChI=1S/C20H30FN3O5S/c1-2-3-4-16-5-6-17(22-15-16)19(21)7-11-24(12-8-19)30(27,28)20(18(25)23-26)9-13-29-14-10-20/h5-6,15,26H,2-4,7-14H2,1H3,(H,23,25)
InChIKeyWVEPYQVFKRMATN-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.07
Rot. Bonds7

About 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 10343370) has the molecular formula C20H30FN3O5S and a molecular weight of 443.54 g/mol. Its IUPAC name is 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID10343370
Molecular FormulaC20H30FN3O5S
Molecular Weight443.54 g/mol
Exact Mass443.19
IUPAC Name4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCCCCc1ccc(C2(F)CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
InChIInChI=1S/C20H30FN3O5S/c1-2-3-4-16-5-6-17(22-15-16)19(21)7-11-24(12-8-19)30(27,28)20(18(25)23-26)9-13-29-14-10-20/h5-6,15,26H,2-4,7-14H2,1H3,(H,23,25)
InChIKeyWVEPYQVFKRMATN-UHFFFAOYSA-N
XLogP2.07
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(6-phenylpyridin-3-yl)butanamide
CID 51355299
(2R)-3-[(5R)-3-[3-fluoro-4-(2-propan-2-yl-4-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469052
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469079
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469155
N-(4-((4-(2-(2,5-dimethylpyridin-4-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54580051
N-hydroxy-N-(4-((4-(2-(4-methylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54582080
N-(4-((4-(2-(2,5-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54583019
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-(4-((4-(2-(4,6-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54586899
N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide
CID 146047208
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 10343370) is 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide is CCCCc1ccc(C2(F)CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.
What is the InChIKey of 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is WVEPYQVFKRMATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O5S/c1-2-3-4-16-5-6-17(22-15-16)19(21)7-11-24(12-8-19)30(27,28)20(18(25)23-26)9-13-29-14-10-20/h5-6,15,26H,2-4,7-14H2,1H3,(H,23,25).
What are the key properties of 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 443.54 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 10343370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).