N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride

C28H35Cl2N3O6S — CID 162334808

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride

N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 162334808) has the molecular formula C28H35Cl2N3O6S and a molecular weight of 612.58 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
• PubChem CID: 162334808
• Molecular Formula: C28H35Cl2N3O6S
• Molecular Weight: 612.58 g/mol
• Exact Mass: 611.16
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCc3cccc(-c4ccncc4)c3)cc2)CC1.Cl.Cl
• InChI: InChI=1S/C28H33N3O6S.2ClH/c1-36-20-18-31-16-12-28(13-17-31,27(32)30-33)38(34,35)26-7-5-25(6-8-26)37-19-11-22-3-2-4-24(21-22)23-9-14-29-15-10-23;;/h2-10,14-15,21,33H,11-13,16-20H2,1H3,(H,30,32);2*1H
• InChIKey: RZMYMONBCROLLC-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 118.06 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	612.58
LogP ≤ 5	3.97
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-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride (CID 162334808) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCc3cccc(-c4ccncc4)c3)cc2)CC1.Cl.Cl.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?

The InChIKey is RZMYMONBCROLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O6S.2ClH/c1-36-20-18-31-16-12-28(13-17-31,27(32)30-33)38(34,35)26-7-5-25(6-8-26)37-19-11-22-3-2-4-24(21-22)23-9-14-29-15-10-23;;/h2-10,14-15,21,33H,11-13,16-20H2,1H3,(H,30,32);2*1H.

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 612.58 g/mol, XLogP of 3.97, 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-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 162334808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).