N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide

C22H27F3N4O5S — CID 58623231

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 58623231) has the molecular formula C22H27F3N4O5S and a molecular weight of 516.54 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 58623231
• Molecular Formula: C22H27F3N4O5S
• Molecular Weight: 516.54 g/mol
• Exact Mass: 516.17
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CC1
• InChI: InChI=1S/C22H27F3N4O5S/c1-34-13-12-29-10-8-21(9-11-29,20(30)28-31)35(32,33)18-4-2-16(3-5-18)19-15-26-17(14-27-19)6-7-22(23,24)25/h2-5,14-15,31H,6-13H2,1H3,(H,28,30)
• InChIKey: LZBLDSGEUQPXAY-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 121.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.54
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 58623231) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3cnc(CCC(F)(F)F)cn3)cc2)CC1.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The InChIKey is LZBLDSGEUQPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O5S/c1-34-13-12-29-10-8-21(9-11-29,20(30)28-31)35(32,33)18-4-2-16(3-5-18)19-15-26-17(14-27-19)6-7-22(23,24)25/h2-5,14-15,31H,6-13H2,1H3,(H,28,30).

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 516.54 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 58623231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).