4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride

C25H35ClN4O6S2 — CID 162326307

About 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 162326307) has the molecular formula C25H35ClN4O6S2 and a molecular weight of 587.16 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride
• PubChem CID: 162326307
• Molecular Formula: C25H35ClN4O6S2
• Molecular Weight: 587.16 g/mol
• Exact Mass: 586.17
• IUPAC Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride
• SMILES: CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4cccs4)CC3)CC2)cc1.Cl
• InChI: InChI=1S/C25H34N4O6S2.ClH/c1-2-3-18-35-21-8-6-20(7-9-21)27-14-16-29(17-15-27)37(33,34)25(24(31)26-32)10-12-28(13-11-25)23(30)22-5-4-19-36-22;/h4-9,19,32H,2-3,10-18H2,1H3,(H,26,31);1H
• InChIKey: JJICETLLLQJDHH-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.16
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride?

The IUPAC name of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 162326307) is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride is CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4cccs4)CC3)CC2)cc1.Cl.

What is the InChIKey of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride?

The InChIKey is JJICETLLLQJDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6S2.ClH/c1-2-3-18-35-21-8-6-20(7-9-21)27-14-16-29(17-15-27)37(33,34)25(24(31)26-32)10-12-28(13-11-25)23(30)22-5-4-19-36-22;/h4-9,19,32H,2-3,10-18H2,1H3,(H,26,31);1H.

What are the key properties of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride?

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 587.16 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 162326307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).