N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide

C30H41N3O6S — CID 10312074

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10312074) has the molecular formula C30H41N3O6S and a molecular weight of 571.74 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 10312074
• Molecular Formula: C30H41N3O6S
• Molecular Weight: 571.74 g/mol
• Exact Mass: 571.27
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
• SMILES: CCCc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCN(CCOC)CC4)cc3)CC2)cc1
• InChI: InChI=1S/C30H41N3O6S/c1-3-4-23-5-7-24(8-6-23)28(34)25-13-17-33(18-14-25)26-9-11-27(12-10-26)40(37,38)30(29(35)31-36)15-19-32(20-16-30)21-22-39-2/h5-12,25,36H,3-4,13-22H2,1-2H3,(H,31,35)
• InChIKey: VLIMFGLCXWXHPA-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 116.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.74
LogP ≤ 5	3.50
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-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10312074) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is CCCc1ccc(C(=O)C2CCN(c3ccc(S(=O)(=O)C4(C(=O)NO)CCN(CCOC)CC4)cc3)CC2)cc1.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The InChIKey is VLIMFGLCXWXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O6S/c1-3-4-23-5-7-24(8-6-23)28(34)25-13-17-33(18-14-25)26-9-11-27(12-10-26)40(37,38)30(29(35)31-36)15-19-32(20-16-30)21-22-39-2/h5-12,25,36H,3-4,13-22H2,1-2H3,(H,31,35).

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 571.74 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(4-propylbenzoyl)piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10312074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).