N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

C24H30F3N3O5S — CID 10414622

IUPACN-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C24H30F3N3O5S/c1-35-16-15-30-13-11-23(12-14-30,22(31)29-32)36(33,34)20-7-5-19(6-8-20)21-9-4-18(17-28-21)3-2-10-24(25,26)27/h4-9,17,32H,2-3,10-16H2,1H3,(H,29,31)
InChIKeyHJWQPJJUFCJQJD-UHFFFAOYSA-N
MW529.58 g/mol
LogP3.39
Rot. Bonds10

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10414622) has the molecular formula C24H30F3N3O5S and a molecular weight of 529.58 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10414622
Molecular FormulaC24H30F3N3O5S
Molecular Weight529.58 g/mol
Exact Mass529.19
IUPAC NameN-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C24H30F3N3O5S/c1-35-16-15-30-13-11-23(12-14-30,22(31)29-32)36(33,34)20-7-5-19(6-8-20)21-9-4-18(17-28-21)3-2-10-24(25,26)27/h4-9,17,32H,2-3,10-16H2,1H3,(H,29,31)
InChIKeyHJWQPJJUFCJQJD-UHFFFAOYSA-N
XLogP3.39
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.58
LogP ≤ 53.39
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-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10414622) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is HJWQPJJUFCJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O5S/c1-35-16-15-30-13-11-23(12-14-30,22(31)29-32)36(33,34)20-7-5-19(6-8-20)21-9-4-18(17-28-21)3-2-10-24(25,26)27/h4-9,17,32H,2-3,10-16H2,1H3,(H,29,31).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 529.58 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10414622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).