N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

C26H35ClN6O7S — CID 169425374

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 169425374) has the molecular formula C26H35ClN6O7S and a molecular weight of 611.12 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• PubChem CID: 169425374
• Molecular Formula: C26H35ClN6O7S
• Molecular Weight: 611.12 g/mol
• Exact Mass: 610.20
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccccc4OC)n3)cc2)CC1.Cl
• InChI: InChI=1S/C26H34N6O7S.ClH/c1-37-19-17-31-15-12-26(13-16-31,25(33)29-34)40(35,36)21-10-8-20(9-11-21)39-18-5-14-32-28-24(27-30-32)22-6-3-4-7-23(22)38-2;/h3-4,6-11,34H,5,12-19H2,1-2H3,(H,29,33);1H
• InChIKey: NCQOCKRBVCURFJ-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 158.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.12
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 169425374) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCn3nnc(-c4ccccc4OC)n3)cc2)CC1.Cl.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The InChIKey is NCQOCKRBVCURFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O7S.ClH/c1-37-19-17-31-15-12-26(13-16-31,25(33)29-34)40(35,36)21-10-8-20(9-11-21)39-18-5-14-32-28-24(27-30-32)22-6-3-4-7-23(22)38-2;/h3-4,6-11,34H,5,12-19H2,1-2H3,(H,29,33);1H.

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 611.12 g/mol, XLogP of 2.00, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[5-(2-methoxyphenyl)tetrazol-2-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 169425374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).