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

C19H26F3N3O6S — CID 21068961

IUPACN-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O6S/c20-19(21,22)7-12-31-15-1-2-16(23-13-15)14-3-8-25(9-4-14)32(28,29)18(17(26)24-27)5-10-30-11-6-18/h1-2,13-14,27H,3-12H2,(H,24,26)
InChIKeyZIEGASXNNPMZDB-UHFFFAOYSA-N
MW481.49 g/mol
LogP1.98
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068961) has the molecular formula C19H26F3N3O6S and a molecular weight of 481.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068961
Molecular FormulaC19H26F3N3O6S
Molecular Weight481.49 g/mol
Exact Mass481.15
IUPAC NameN-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O6S/c20-19(21,22)7-12-31-15-1-2-16(23-13-15)14-3-8-25(9-4-14)32(28,29)18(17(26)24-27)5-10-30-11-6-18/h1-2,13-14,27H,3-12H2,(H,24,26)
InChIKeyZIEGASXNNPMZDB-UHFFFAOYSA-N
XLogP1.98
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.49
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[4-(Pyridin-3-yloxy)-benzenesulfonylamino]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 44342308
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 51355579
N-hydroxy-2-methyl-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663412
US20240400579, Example 247A
CID 168907459
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10050863
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10096121
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390777
N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10414222
N-hydroxy-4-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10458603
4-[4-[5-(2,2-difluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11754138
N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide
CID 18723037
4-[dihydroxy-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]-lambda4-sulfanyl]-N-hydroxyoxane-4-carboxamide
CID 21069163

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 21068961) is N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is ZIEGASXNNPMZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O6S/c20-19(21,22)7-12-31-15-1-2-16(23-13-15)14-3-8-25(9-4-14)32(28,29)18(17(26)24-27)5-10-30-11-6-18/h1-2,13-14,27H,3-12H2,(H,24,26).
What are the key properties of N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).