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

C23H23ClF3N3O3 — CID 44554325

IUPAC(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccccc3C(F)(F)F)C2)n1)NO
InChIInChI=1S/C23H22F3N3O3.ClH/c24-23(25,26)20-9-2-1-8-19(20)16-5-4-14-29(15-16)22(31)13-11-18-7-3-6-17(27-18)10-12-21(30)28-32;/h1-3,6-13,16,32H,4-5,14-15H2,(H,28,30);1H/b12-10+,13-11+;
InChIKeyCGWSMRRUASBCCV-BSENIABMSA-N
MW481.90 g/mol
LogP4.46
Rot. Bonds5

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

(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride (PubChem CID 44554325) 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-[2-(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-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
PubChem CID44554325
Molecular FormulaC23H23ClF3N3O3
Molecular Weight481.90 g/mol
Exact Mass481.14
IUPAC Name(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
SMILESCl.O=C(/C=C/c1cccc(/C=C/C(=O)N2CCCC(c3ccccc3C(F)(F)F)C2)n1)NO
InChIInChI=1S/C23H22F3N3O3.ClH/c24-23(25,26)20-9-2-1-8-19(20)16-5-4-14-29(15-16)22(31)13-11-18-7-3-6-17(27-18)10-12-21(30)28-32;/h1-3,6-13,16,32H,4-5,14-15H2,(H,28,30);1H/b12-10+,13-11+;
InChIKeyCGWSMRRUASBCCV-BSENIABMSA-N
XLogP4.46
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(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-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride (CID 44554325) is (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(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-[2-(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-[2-(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(c3ccccc3C(F)(F)F)C2)n1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?
The InChIKey is CGWSMRRUASBCCV-BSENIABMSA-N. The full InChI is InChI=1S/C23H22F3N3O3.ClH/c24-23(25,26)20-9-2-1-8-19(20)16-5-4-14-29(15-16)22(31)13-11-18-7-3-6-17(27-18)10-12-21(30)28-32;/h1-3,6-13,16,32H,4-5,14-15H2,(H,28,30);1H/b12-10+,13-11+;.
What are the key properties of (E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride?
(E)-N-hydroxy-3-[6-[(E)-3-oxo-3-[3-[2-(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-[2-(trifluoromethyl)phenyl]piperidin-1-yl]prop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 44554325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).