N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

C23H33F5N4O5S — CID 10348059

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 10348059) has the molecular formula C23H33F5N4O5S and a molecular weight of 572.60 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 10348059
• Molecular Formula: C23H33F5N4O5S
• Molecular Weight: 572.60 g/mol
• Exact Mass: 572.21
• IUPAC Name: N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CC1
• InChI: InChI=1S/C23H33F5N4O5S/c1-37-15-14-31-12-8-21(9-13-31,20(33)30-34)38(35,36)32-10-5-18(6-11-32)19-3-2-17(16-29-19)4-7-22(24,25)23(26,27)28/h2-3,16,18,34H,4-15H2,1H3,(H,30,33)
• InChIKey: LXJSEUPSKPADMD-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 112.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.60
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 10348059) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CC1.

What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

The InChIKey is LXJSEUPSKPADMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F5N4O5S/c1-37-15-14-31-12-8-21(9-13-31,20(33)30-34)38(35,36)32-10-5-18(6-11-32)19-3-2-17(16-29-19)4-7-22(24,25)23(26,27)28/h2-3,16,18,34H,4-15H2,1H3,(H,30,33).

What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?

N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 572.60 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10348059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).