4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C23H33N5O5S2 — CID 21068879

About 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 21068879) has the molecular formula C23H33N5O5S2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 21068879
• Molecular Formula: C23H33N5O5S2
• Molecular Weight: 523.68 g/mol
• Exact Mass: 523.19
• IUPAC Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
• SMILES: CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4nccs4)CC3)CC2)cc1
• InChI: InChI=1S/C23H33N5O5S2/c1-2-3-17-33-20-6-4-19(5-7-20)26-13-15-28(16-14-26)35(31,32)23(21(29)25-30)8-11-27(12-9-23)22-24-10-18-34-22/h4-7,10,18,30H,2-3,8-9,11-17H2,1H3,(H,25,29)
• InChIKey: GZEFYCHCNLDUAQ-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 115.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.68
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(1,3-thiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 21068879) is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide is CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4nccs4)CC3)CC2)cc1.

What is the InChIKey of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is GZEFYCHCNLDUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5S2/c1-2-3-17-33-20-6-4-19(5-7-20)26-13-15-28(16-14-26)35(31,32)23(21(29)25-30)8-11-27(12-9-23)22-24-10-18-34-22/h4-7,10,18,30H,2-3,8-9,11-17H2,1H3,(H,25,29).

What are the key properties of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide?

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 523.68 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 21068879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).