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

C18H24F3N3O6S — CID 10096121

IUPACN-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C18H24F3N3O6S/c19-18(20,21)12-30-14-1-2-15(22-11-14)13-3-7-24(8-4-13)31(27,28)17(16(25)23-26)5-9-29-10-6-17/h1-2,11,13,26H,3-10,12H2,(H,23,25)
InChIKeyPHVLANGQUUEXSS-UHFFFAOYSA-N
MW467.47 g/mol
LogP1.59
Rot. Bonds6

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

N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10096121) has the molecular formula C18H24F3N3O6S and a molecular weight of 467.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10096121
Molecular FormulaC18H24F3N3O6S
Molecular Weight467.47 g/mol
Exact Mass467.13
IUPAC NameN-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C18H24F3N3O6S/c19-18(20,21)12-30-14-1-2-15(22-11-14)13-3-7-24(8-4-13)31(27,28)17(16(25)23-26)5-9-29-10-6-17/h1-2,11,13,26H,3-10,12H2,(H,23,25)
InChIKeyPHVLANGQUUEXSS-UHFFFAOYSA-N
XLogP1.59
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10096121) is N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is PHVLANGQUUEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O6S/c19-18(20,21)12-30-14-1-2-15(22-11-14)13-3-7-24(8-4-13)31(27,28)17(16(25)23-26)5-9-29-10-6-17/h1-2,11,13,26H,3-10,12H2,(H,23,25).
What are the key properties of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 467.47 g/mol, XLogP of 1.59, 6 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-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10096121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).