N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide

C30H40N4O6S — CID 46891583

About N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 46891583) has the molecular formula C30H40N4O6S and a molecular weight of 584.74 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
• PubChem CID: 46891583
• Molecular Formula: C30H40N4O6S
• Molecular Weight: 584.74 g/mol
• Exact Mass: 584.27
• IUPAC Name: N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide
• SMILES: O=C(C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1)N1CCN(CCc2ccccc2)CC1
• InChI: InChI=1S/C30H40N4O6S/c35-28(34-20-18-32(19-21-34)15-10-24-4-2-1-3-5-24)25-11-16-33(17-12-25)26-6-8-27(9-7-26)41(38,39)30(29(36)31-37)13-22-40-23-14-30/h1-9,25,37H,10-23H2,(H,31,36)
• InChIKey: QJQSFVGRKOULTN-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.74
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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 N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

The IUPAC name of N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide (CID 46891583) is N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide.

What is the SMILES notation for N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

The canonical SMILES for N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide is O=C(C1CCN(c2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)CC1)N1CCN(CCc2ccccc2)CC1.

What is the InChIKey of N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

The InChIKey is QJQSFVGRKOULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O6S/c35-28(34-20-18-32(19-21-34)15-10-24-4-2-1-3-5-24)25-11-16-33(17-12-25)26-6-8-27(9-7-26)41(38,39)30(29(36)31-37)13-22-40-23-14-30/h1-9,25,37H,10-23H2,(H,31,36).

What are the key properties of N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide?

N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 584.74 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-4-[4-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]piperidin-1-yl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 46891583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).