4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide

C27H38N4O5S — CID 21068872

About 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide (PubChem CID 21068872) has the molecular formula C27H38N4O5S and a molecular weight of 530.69 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
• PubChem CID: 21068872
• Molecular Formula: C27H38N4O5S
• Molecular Weight: 530.69 g/mol
• Exact Mass: 530.26
• IUPAC Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
• SMILES: CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4ccc(C)cc4)CC3)CC2)cc1
• InChI: InChI=1S/C27H38N4O5S/c1-3-4-21-36-25-11-9-24(10-12-25)30-17-19-31(20-18-30)37(34,35)27(26(32)28-33)13-15-29(16-14-27)23-7-5-22(2)6-8-23/h5-12,33H,3-4,13-21H2,1-2H3,(H,28,32)
• InChIKey: STLDTJOREMURKT-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 102.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.69
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', '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-(4-methylphenyl)piperidine-4-carboxamide?

The IUPAC name of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide (CID 21068872) is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide.

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

The canonical SMILES for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide is CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4ccc(C)cc4)CC3)CC2)cc1.

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

The InChIKey is STLDTJOREMURKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5S/c1-3-4-21-36-25-11-9-24(10-12-25)30-17-19-31(20-18-30)37(34,35)27(26(32)28-33)13-15-29(16-14-27)23-7-5-22(2)6-8-23/h5-12,33H,3-4,13-21H2,1-2H3,(H,28,32).

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

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide has a molecular weight of 530.69 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 21068872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).