N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

C21H21FN2O2 — CID 2044876

IUPACN-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccccc1F)C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H21FN2O2/c22-18-12-6-5-11-17(18)15-19(21(26)24-13-7-2-8-14-24)23-20(25)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,23,25)/b19-15+
InChIKeyASVRTHMCZKJSKT-XDJHFCHBSA-N
MW352.41 g/mol
LogP3.61
Rot. Bonds4

About N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 2044876) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
PubChem CID2044876
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C/c1ccccc1F)C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C21H21FN2O2/c22-18-12-6-5-11-17(18)15-19(21(26)24-13-7-2-8-14-24)23-20(25)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,23,25)/b19-15+
InChIKeyASVRTHMCZKJSKT-XDJHFCHBSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide (CID 2044876) is N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is O=C(N/C(=C/c1ccccc1F)C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is ASVRTHMCZKJSKT-XDJHFCHBSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-18-12-6-5-11-17(18)15-19(21(26)24-13-7-2-8-14-24)23-20(25)16-9-3-1-4-10-16/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,23,25)/b19-15+.
What are the key properties of N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide?
N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 352.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2044876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).