4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

C24H39N5O7S — CID 21068881

About 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide (PubChem CID 21068881) has the molecular formula C24H39N5O7S and a molecular weight of 541.67 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
• PubChem CID: 21068881
• Molecular Formula: C24H39N5O7S
• Molecular Weight: 541.67 g/mol
• Exact Mass: 541.26
• IUPAC Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
• SMILES: CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)NCCOC)CC3)CC2)cc1
• InChI: InChI=1S/C24H39N5O7S/c1-3-4-18-36-21-7-5-20(6-8-21)27-14-16-29(17-15-27)37(33,34)24(22(30)26-32)9-12-28(13-10-24)23(31)25-11-19-35-2/h5-8,32H,3-4,9-19H2,1-2H3,(H,25,31)(H,26,30)
• InChIKey: DISLASZRJRQHFN-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 140.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.67
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	3
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-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide?

The IUPAC name of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide (CID 21068881) is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide.

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

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

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

The InChIKey is DISLASZRJRQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O7S/c1-3-4-18-36-21-7-5-20(6-8-21)27-14-16-29(17-15-27)37(33,34)24(22(30)26-32)9-12-28(13-10-24)23(31)25-11-19-35-2/h5-8,32H,3-4,9-19H2,1-2H3,(H,25,31)(H,26,30).

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

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide has a molecular weight of 541.67 g/mol, XLogP of 1.01, 11 rotatable bonds, 3 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-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 21068881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).