N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide

C26H34N6O6S — CID 46891617

About N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 46891617) has the molecular formula C26H34N6O6S and a molecular weight of 558.66 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 46891617
• Molecular Formula: C26H34N6O6S
• Molecular Weight: 558.66 g/mol
• Exact Mass: 558.23
• IUPAC Name: N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
• SMILES: O=C(C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1)N1CCN(c2cnccn2)CC1
• InChI: InChI=1S/C26H34N6O6S/c33-24(32-15-13-31(14-16-32)23-19-27-9-10-28-23)20-5-11-30(12-6-20)21-1-3-22(4-2-21)39(36,37)26(25(34)29-35)7-17-38-18-8-26/h1-4,9-10,19-20,35H,5-8,11-18H2,(H,29,34)
• InChIKey: LZVLSPCMSRJJKT-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 145.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.66
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 46891617) is N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1)N1CCN(c2cnccn2)CC1.

What is the InChIKey of N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is LZVLSPCMSRJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O6S/c33-24(32-15-13-31(14-16-32)23-19-27-9-10-28-23)20-5-11-30(12-6-20)21-1-3-22(4-2-21)39(36,37)26(25(34)29-35)7-17-38-18-8-26/h1-4,9-10,19-20,35H,5-8,11-18H2,(H,29,34).

What are the key properties of N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 558.66 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 46891617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).