4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride

C23H34ClF3N4O6S — CID 162337910

About 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 162337910) has the molecular formula C23H34ClF3N4O6S and a molecular weight of 587.06 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride
• PubChem CID: 162337910
• Molecular Formula: C23H34ClF3N4O6S
• Molecular Weight: 587.06 g/mol
• Exact Mass: 586.18
• IUPAC Name: 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride
• SMILES: CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)CC(F)(F)F)CC3)CC2)cc1.Cl
• InChI: InChI=1S/C23H33F3N4O6S.ClH/c1-2-3-16-36-19-6-4-18(5-7-19)28-12-14-30(15-13-28)37(34,35)22(21(32)27-33)8-10-29(11-9-22)20(31)17-23(24,25)26;/h4-7,33H,2-3,8-17H2,1H3,(H,27,32);1H
• InChIKey: SNVZRUIOVDPCTJ-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.06
LogP ≤ 5	2.56
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': '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-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride?

The IUPAC name of 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride (CID 162337910) is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride.

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

The canonical SMILES for 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride is CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)CC(F)(F)F)CC3)CC2)cc1.Cl.

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

The InChIKey is SNVZRUIOVDPCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N4O6S.ClH/c1-2-3-16-36-19-6-4-18(5-7-19)28-12-14-30(15-13-28)37(34,35)22(21(32)27-33)8-10-29(11-9-22)20(31)17-23(24,25)26;/h4-7,33H,2-3,8-17H2,1H3,(H,27,32);1H.

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

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 587.06 g/mol, XLogP of 2.56, 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-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 162337910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).