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

C20H28F3N3O5S — CID 10005329

IUPACN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C20H28F3N3O5S/c21-20(22,23)7-1-2-15-3-4-17(24-14-15)16-5-10-26(11-6-16)32(29,30)19(18(27)25-28)8-12-31-13-9-19/h3-4,14,16,28H,1-2,5-13H2,(H,25,27)
InChIKeyLJASRVICSNKRBB-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.53
Rot. Bonds7

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

N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 10005329) has the molecular formula C20H28F3N3O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID10005329
Molecular FormulaC20H28F3N3O5S
Molecular Weight479.52 g/mol
Exact Mass479.17
IUPAC NameN-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCCC(F)(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C20H28F3N3O5S/c21-20(22,23)7-1-2-15-3-4-17(24-14-15)16-5-10-26(11-6-16)32(29,30)19(18(27)25-28)8-12-31-13-9-19/h3-4,14,16,28H,1-2,5-13H2,(H,25,27)
InChIKeyLJASRVICSNKRBB-UHFFFAOYSA-N
XLogP2.53
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.53
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 10005329) is N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCCC(F)(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is LJASRVICSNKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O5S/c21-20(22,23)7-1-2-15-3-4-17(24-14-15)16-5-10-26(11-6-16)32(29,30)19(18(27)25-28)8-12-31-13-9-19/h3-4,14,16,28H,1-2,5-13H2,(H,25,27).
What are the key properties of N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.53, 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-(4,4,4-trifluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10005329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).