(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide

C18H21F3N2O3 — CID 139382216

IUPAC(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCC(C(=O)CCC(F)(F)F)CC1)NO
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)10-7-16(24)14-8-11-23(12-9-14)15-4-2-1-3-13(15)5-6-17(25)22-26/h1-6,14,26H,7-12H2,(H,22,25)/b6-5+
InChIKeyJFBLQRYVPRVZLN-AATRIKPKSA-N
MW370.37 g/mol
LogP3.33
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide (PubChem CID 139382216) has the molecular formula C18H21F3N2O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide
PubChem CID139382216
Molecular FormulaC18H21F3N2O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1N1CCC(C(=O)CCC(F)(F)F)CC1)NO
InChIInChI=1S/C18H21F3N2O3/c19-18(20,21)10-7-16(24)14-8-11-23(12-9-14)15-4-2-1-3-13(15)5-6-17(25)22-26/h1-6,14,26H,7-12H2,(H,22,25)/b6-5+
InChIKeyJFBLQRYVPRVZLN-AATRIKPKSA-N
XLogP3.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.33
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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Related Compounds

(E)-3-[2-(4-formylpiperazin-1-yl)phenyl]-N-hydroxyprop-2-enamide
CID 166920810
(E)-N-hydroxy-3-[2-[4-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methylamino]piperidin-1-yl]phenyl]prop-2-enamide
CID 166920830
(E)-3-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514118
(E)-3-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122513951
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187
(E)-N-hydroxy-3-[2-[4-[2-(trifluoromethoxy)phenyl]sulfanylpiperazin-1-yl]phenyl]prop-2-enamide
CID 145156888
(E)-3-[2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514032
(E)-3-[2-(4-aminopiperidin-1-yl)phenyl]-N-methylprop-2-enamide
CID 145156882
1-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-[(1-methylpyrazol-3-yl)-sulfinoamino]piperidine
CID 155210645
1-[2-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-4-[pentyl(sulfinato)amino]piperidine
CID 174881146
(E)-3-[2-[4-[(4-chloro-2-fluorophenyl)methylsulfonylamino]piperidin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 122514160
ethane;(E)-3-[2-[4-[[6-(2-fluoropropan-2-yl)-3-pyridinyl]sulfanyl]piperazin-1-yl]phenyl]-N-hydroxyprop-2-enamide
CID 145156855

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide (CID 139382216) is (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1N1CCC(C(=O)CCC(F)(F)F)CC1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide?
The InChIKey is JFBLQRYVPRVZLN-AATRIKPKSA-N. The full InChI is InChI=1S/C18H21F3N2O3/c19-18(20,21)10-7-16(24)14-8-11-23(12-9-14)15-4-2-1-3-13(15)5-6-17(25)22-26/h1-6,14,26H,7-12H2,(H,22,25)/b6-5+.
What are the key properties of (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide has a molecular weight of 370.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[4-(4,4,4-trifluorobutanoyl)piperidin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 139382216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).