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

C20H26F5N3O5S — CID 10255936

IUPACN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C20H26F5N3O5S/c21-19(22,20(23,24)25)6-3-14-1-2-16(26-13-14)15-4-9-28(10-5-15)34(31,32)18(17(29)27-30)7-11-33-12-8-18/h1-2,13,15,30H,3-12H2,(H,27,29)
InChIKeyHVPOBLNXHKKCPF-UHFFFAOYSA-N
MW515.50 g/mol
LogP2.78
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10255936) has the molecular formula C20H26F5N3O5S and a molecular weight of 515.50 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10255936
Molecular FormulaC20H26F5N3O5S
Molecular Weight515.50 g/mol
Exact Mass515.15
IUPAC NameN-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C20H26F5N3O5S/c21-19(22,20(23,24)25)6-3-14-1-2-16(26-13-14)15-4-9-28(10-5-15)34(31,32)18(17(29)27-30)7-11-33-12-8-18/h1-2,13,15,30H,3-12H2,(H,27,29)
InChIKeyHVPOBLNXHKKCPF-UHFFFAOYSA-N
XLogP2.78
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.50
LogP ≤ 52.78
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-((4-(2-(2,5-dimethylpyridin-4-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54580051
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-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
N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10007916
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
CID 10008575

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10255936) is N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is HVPOBLNXHKKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F5N3O5S/c21-19(22,20(23,24)25)6-3-14-1-2-16(26-13-14)15-4-9-28(10-5-15)34(31,32)18(17(29)27-30)7-11-33-12-8-18/h1-2,13,15,30H,3-12H2,(H,27,29).
What are the key properties of N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 515.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10255936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).