4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide

C29H38N4O6S — CID 22707855

About 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide

4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 22707855) has the molecular formula C29H38N4O6S and a molecular weight of 570.71 g/mol. Its IUPAC name is 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
• PubChem CID: 22707855
• Molecular Formula: C29H38N4O6S
• Molecular Weight: 570.71 g/mol
• Exact Mass: 570.25
• IUPAC Name: 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCc5ccccc54)CC3)cc2)CC1
• InChI: InChI=1S/C29H38N4O6S/c1-39-21-20-31-18-13-29(14-19-31,28(35)30-36)40(37,38)25-8-6-24(7-9-25)32-15-10-23(11-16-32)27(34)33-17-12-22-4-2-3-5-26(22)33/h2-9,23,36H,10-21H2,1H3,(H,30,35)
• InChIKey: DILHAZIUQYPKSC-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 119.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.71
LogP ≤ 5	2.25
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 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

The IUPAC name of 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 22707855) is 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide.

What is the SMILES notation for 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

The canonical SMILES for 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(N3CCC(C(=O)N4CCc5ccccc54)CC3)cc2)CC1.

What is the InChIKey of 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

The InChIKey is DILHAZIUQYPKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O6S/c1-39-21-20-31-18-13-29(14-19-31,28(35)30-36)40(37,38)25-8-6-24(7-9-25)32-15-10-23(11-16-32)27(34)33-17-12-22-4-2-3-5-26(22)33/h2-9,23,36H,10-21H2,1H3,(H,30,35).

What are the key properties of 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 570.71 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 22707855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).