N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride

C20H28ClF5N4O4S — CID 159345731

About N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 159345731) has the molecular formula C20H28ClF5N4O4S and a molecular weight of 550.98 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
• PubChem CID: 159345731
• Molecular Formula: C20H28ClF5N4O4S
• Molecular Weight: 550.98 g/mol
• Exact Mass: 550.14
• IUPAC Name: N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
• SMILES: Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCC(F)(F)C(F)(F)F)cc3)CC2)CCNCC1
• InChI: InChI=1S/C20H27F5N4O4S.ClH/c21-19(22,20(23,24)25)6-5-15-1-3-16(4-2-15)28-11-13-29(14-12-28)34(32,33)18(17(30)27-31)7-9-26-10-8-18;/h1-4,26,31H,5-14H2,(H,27,30);1H
• InChIKey: ARZDWGPARHBERC-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 101.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.98
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 159345731) is N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NO)C1(S(=O)(=O)N2CCN(c3ccc(CCC(F)(F)C(F)(F)F)cc3)CC2)CCNCC1.

What is the InChIKey of N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The InChIKey is ARZDWGPARHBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F5N4O4S.ClH/c21-19(22,20(23,24)25)6-5-15-1-3-16(4-2-15)28-11-13-29(14-12-28)34(32,33)18(17(30)27-31)7-9-26-10-8-18;/h1-4,26,31H,5-14H2,(H,27,30);1H.

What are the key properties of N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?

N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 550.98 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 159345731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).