N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide

C24H34F3N3O4S — CID 142824754

About N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide

N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide (PubChem CID 142824754) has the molecular formula C24H34F3N3O4S and a molecular weight of 517.61 g/mol. Its IUPAC name is N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide.

Molecular Properties

• Compound Name: N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide
• PubChem CID: 142824754
• Molecular Formula: C24H34F3N3O4S
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.22
• IUPAC Name: N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide
• SMILES: C=CCC(CC=C)(C(=O)NO)S(=O)(=O)N1CCC(c2ccc(CCC(C)(C)C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C24H34F3N3O4S/c1-5-12-23(13-6-2,21(31)29-32)35(33,34)30-15-10-19(11-16-30)20-8-7-18(17-28-20)9-14-22(3,4)24(25,26)27/h5-8,17,19,32H,1-2,9-16H2,3-4H3,(H,29,31)
• InChIKey: IDXQOIMWYJTJFH-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 99.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide?

The IUPAC name of N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide (CID 142824754) is N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide.

What is the SMILES notation for N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide?

The canonical SMILES for N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide is C=CCC(CC=C)(C(=O)NO)S(=O)(=O)N1CCC(c2ccc(CCC(C)(C)C(F)(F)F)cn2)CC1.

What is the InChIKey of N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide?

The InChIKey is IDXQOIMWYJTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F3N3O4S/c1-5-12-23(13-6-2,21(31)29-32)35(33,34)30-15-10-19(11-16-30)20-8-7-18(17-28-20)9-14-22(3,4)24(25,26)27/h5-8,17,19,32H,1-2,9-16H2,3-4H3,(H,29,31).

What are the key properties of N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide?

N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide has a molecular weight of 517.61 g/mol, XLogP of 4.51, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-prop-2-enyl-2-[4-[5-(4,4,4-trifluoro-3,3-dimethylbutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpent-4-enamide is sourced from PubChem (CID 142824754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).