N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

C25H24F3N3O6S — CID 10280852

IUPACN-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-6-4-19(5-7-21)36-20-8-10-22(11-9-20)38(34,35)24(23(32)30-33)12-15-31(16-13-24)17-18-3-1-2-14-29-18/h1-11,14,33H,12-13,15-17H2,(H,30,32)
InChIKeyIXVDOEAUVAJHER-UHFFFAOYSA-N
MW551.54 g/mol
LogP4.09
Rot. Bonds8

About N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10280852) has the molecular formula C25H24F3N3O6S and a molecular weight of 551.54 g/mol. Its IUPAC name is N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10280852
Molecular FormulaC25H24F3N3O6S
Molecular Weight551.54 g/mol
Exact Mass551.13
IUPAC NameN-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-6-4-19(5-7-21)36-20-8-10-22(11-9-20)38(34,35)24(23(32)30-33)12-15-31(16-13-24)17-18-3-1-2-14-29-18/h1-11,14,33H,12-13,15-17H2,(H,30,32)
InChIKeyIXVDOEAUVAJHER-UHFFFAOYSA-N
XLogP4.09
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide (CID 10280852) is N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is IXVDOEAUVAJHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O6S/c26-25(27,28)37-21-6-4-19(5-7-21)36-20-8-10-22(11-9-20)38(34,35)24(23(32)30-33)12-15-31(16-13-24)17-18-3-1-2-14-29-18/h1-11,14,33H,12-13,15-17H2,(H,30,32).
What are the key properties of N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 551.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10280852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).