N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

C32H45ClN4O7S — CID 169424251

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 169424251) has the molecular formula C32H45ClN4O7S and a molecular weight of 665.25 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• PubChem CID: 169424251
• Molecular Formula: C32H45ClN4O7S
• Molecular Weight: 665.25 g/mol
• Exact Mass: 664.27
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(CCC(C)C)cc4C)no3)cc2)CC1.Cl
• InChI: InChI=1S/C32H44N4O7S.ClH/c1-23(2)7-8-25-9-14-28(24(3)22-25)30-33-29(43-35-30)6-5-20-42-26-10-12-27(13-11-26)44(39,40)32(31(37)34-38)15-17-36(18-16-32)19-21-41-4;/h9-14,22-23,38H,5-8,15-21H2,1-4H3,(H,34,37);1H
• InChIKey: HTNAXCFNRZCFGP-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 144.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	665.25
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 169424251) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride.

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

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is COCCN1CCC(C(=O)NO)(S(=O)(=O)c2ccc(OCCCc3nc(-c4ccc(CCC(C)C)cc4C)no3)cc2)CC1.Cl.

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

The InChIKey is HTNAXCFNRZCFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O7S.ClH/c1-23(2)7-8-25-9-14-28(24(3)22-25)30-33-29(43-35-30)6-5-20-42-26-10-12-27(13-11-26)44(39,40)32(31(37)34-38)15-17-36(18-16-32)19-21-41-4;/h9-14,22-23,38H,5-8,15-21H2,1-4H3,(H,34,37);1H.

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

N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 665.25 g/mol, XLogP of 4.83, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 169424251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).