(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride

C23H23ClF3N3O3 — CID 44554327

About (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride (PubChem CID 44554327) has the molecular formula C23H23ClF3N3O3 and a molecular weight of 481.90 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
• PubChem CID: 44554327
• Molecular Formula: C23H23ClF3N3O3
• Molecular Weight: 481.90 g/mol
• Exact Mass: 481.14
• IUPAC Name: (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
• SMILES: Cl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3cccc(C(F)(F)F)c3)C2)n1)NO
• InChI: InChI=1S/C23H22F3N3O3.ClH/c24-23(25,26)18-6-1-4-16(14-18)17-5-3-13-29(15-17)22(31)12-10-20-8-2-7-19(27-20)9-11-21(30)28-32;/h1-2,4,6-12,14,17,32H,3,5,13,15H2,(H,28,30);1H/b11-9+,12-10+
• InChIKey: OPJIJACKGBQUCW-NVUWAARKSA-N
• XLogP: 4.46
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.90
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?

The IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride (CID 44554327) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride.

What is the SMILES notation for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?

The canonical SMILES for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride is Cl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3cccc(C(F)(F)F)c3)C2)n1)NO.

What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?

The InChIKey is OPJIJACKGBQUCW-NVUWAARKSA-N. The full InChI is InChI=1S/C23H22F3N3O3.ClH/c24-23(25,26)18-6-1-4-16(14-18)17-5-3-13-29(15-17)22(31)12-10-20-8-2-7-19(27-20)9-11-21(30)28-32;/h1-2,4,6-12,14,17,32H,3,5,13,15H2,(H,28,30);1H/b11-9+,12-10+;.

What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride has a molecular weight of 481.90 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[3-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 44554327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).