N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

C20H25F5N2O6S — CID 21068755

IUPACN-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCC(F)(F)C(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C20H25F5N2O6S/c21-19(22,20(23,24)25)13-33-16-3-1-14(2-4-16)15-5-9-27(10-6-15)34(30,31)18(17(28)26-29)7-11-32-12-8-18/h1-4,15,29H,5-13H2,(H,26,28)
InChIKeyDWNMKIYWPAGDDJ-UHFFFAOYSA-N
MW516.49 g/mol
LogP2.83
Rot. Bonds7

About N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (PubChem CID 21068755) has the molecular formula C20H25F5N2O6S and a molecular weight of 516.49 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
PubChem CID21068755
Molecular FormulaC20H25F5N2O6S
Molecular Weight516.49 g/mol
Exact Mass516.14
IUPAC NameN-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCC(F)(F)C(F)(F)F)cc3)CC2)CCOCC1
InChIInChI=1S/C20H25F5N2O6S/c21-19(22,20(23,24)25)13-33-16-3-1-14(2-4-16)15-5-9-27(10-6-15)34(30,31)18(17(28)26-29)7-11-32-12-8-18/h1-4,15,29H,5-13H2,(H,26,28)
InChIKeyDWNMKIYWPAGDDJ-UHFFFAOYSA-N
XLogP2.83
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.49
LogP ≤ 52.83
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrimidin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 161472394
4-[dihydroxy-[4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]piperidin-1-yl]-λ4-sulfanyl]-N-hydroxyoxane-4-carboxamide
CID 21069165
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;N-(oxan-2-yloxy)-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 158229691
N-hydroxy-4-[4-(6,6,7,7,7-pentafluoroheptoxy)piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 21069077
1-cyclopropyl-N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-fluorobenzaldehyde;2,2,2-trifluoroethanol;4-(2,2,2-trifluoroethoxy)benzaldehyde;hydrochloride
CID 158570862
4-[dihydroxy-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]-λ4-sulfanyl]-N-hydroxyoxane-4-carboxamide
CID 21069163
ethane;N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 143045285
4-[4-(5-bromo-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 162329207
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxymethyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068751
N-hydroxy-4-[4-[4-[4-(trifluoromethoxy)phenyl]phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162312650
N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)butyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 21068789

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide (CID 21068755) is N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(OCC(F)(F)C(F)(F)F)cc3)CC2)CCOCC1.
What is the InChIKey of N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
The InChIKey is DWNMKIYWPAGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F5N2O6S/c21-19(22,20(23,24)25)13-33-16-3-1-14(2-4-16)15-5-9-27(10-6-15)34(30,31)18(17(28)26-29)7-11-32-12-8-18/h1-4,15,29H,5-13H2,(H,26,28).
What are the key properties of N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide has a molecular weight of 516.49 g/mol, XLogP of 2.83, 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-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 21068755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).