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

C19H26F3N3O5S — CID 10412169

IUPACN-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O5S/c20-19(21,22)6-3-14-1-2-16(23-13-14)15-4-9-25(10-5-15)31(28,29)18(17(26)24-27)7-11-30-12-8-18/h1-2,13,15,27H,3-12H2,(H,24,26)
InChIKeyWTQKQUUDAKFKPJ-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.14
Rot. Bonds6

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

N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10412169) has the molecular formula C19H26F3N3O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10412169
Molecular FormulaC19H26F3N3O5S
Molecular Weight465.49 g/mol
Exact Mass465.15
IUPAC NameN-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O5S/c20-19(21,22)6-3-14-1-2-16(23-13-14)15-4-9-25(10-5-15)31(28,29)18(17(26)24-27)7-11-30-12-8-18/h1-2,13,15,27H,3-12H2,(H,24,26)
InChIKeyWTQKQUUDAKFKPJ-UHFFFAOYSA-N
XLogP2.14
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.14
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

(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
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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10412169) is N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is WTQKQUUDAKFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O5S/c20-19(21,22)6-3-14-1-2-16(23-13-14)15-4-9-25(10-5-15)31(28,29)18(17(26)24-27)7-11-30-12-8-18/h1-2,13,15,27H,3-12H2,(H,24,26).
What are the key properties of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 2.14, 6 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-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10412169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).