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

C19H26F3N3O6S — CID 10050863

IUPACN-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(COCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O6S/c20-19(21,22)13-31-12-14-1-2-16(23-11-14)15-3-7-25(8-4-15)32(28,29)18(17(26)24-27)5-9-30-10-6-18/h1-2,11,15,27H,3-10,12-13H2,(H,24,26)
InChIKeyZBZJWKJUEGXHKO-UHFFFAOYSA-N
MW481.49 g/mol
LogP1.72
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10050863) has the molecular formula C19H26F3N3O6S and a molecular weight of 481.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10050863
Molecular FormulaC19H26F3N3O6S
Molecular Weight481.49 g/mol
Exact Mass481.15
IUPAC NameN-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(COCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H26F3N3O6S/c20-19(21,22)13-31-12-14-1-2-16(23-11-14)15-3-7-25(8-4-15)32(28,29)18(17(26)24-27)5-9-30-10-6-18/h1-2,11,15,27H,3-10,12-13H2,(H,24,26)
InChIKeyZBZJWKJUEGXHKO-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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'}

Analyze N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide with MolForge

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Related Compounds

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
4-[4-[5-(3,3-difluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10027315
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-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10255936
N-hydroxy-4-[4-[6-(3,3,4,4,4-pentafluorobutyl)pyridin-3-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10324210
4-[4-(5-butyl-2-pyridinyl)-4-fluoropiperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10343370
4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10343582
4-[4-[5-(2,2-difluoropropyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10366341
N-hydroxy-4-[4-[5-[4-(trifluoromethyl)phenyl]pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10391724
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10412169

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10050863) is N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(COCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is ZBZJWKJUEGXHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O6S/c20-19(21,22)13-31-12-14-1-2-16(23-11-14)15-3-7-25(8-4-15)32(28,29)18(17(26)24-27)5-9-30-10-6-18/h1-2,11,15,27H,3-10,12-13H2,(H,24,26).
What are the key properties of N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 1.72, 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-(2,2,2-trifluoroethoxymethyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10050863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).