(E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one

C19H20FNOS — CID 59149610

IUPAC(E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCCCC1)c1cc(-c2ccccc2F)cs1
InChIInChI=1S/C19H20FNOS/c1-14(11-19(22)21-9-5-2-6-10-21)18-12-15(13-23-18)16-7-3-4-8-17(16)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3/b14-11+
InChIKeyUCTIXWYRQUJVPQ-SDNWHVSQSA-N
MW329.44 g/mol
LogP4.97
Rot. Bonds3

About (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one

(E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one (PubChem CID 59149610) has the molecular formula C19H20FNOS and a molecular weight of 329.44 g/mol. Its IUPAC name is (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one
PubChem CID59149610
Molecular FormulaC19H20FNOS
Molecular Weight329.44 g/mol
Exact Mass329.12
IUPAC Name(E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)N1CCCCC1)c1cc(-c2ccccc2F)cs1
InChIInChI=1S/C19H20FNOS/c1-14(11-19(22)21-9-5-2-6-10-21)18-12-15(13-23-18)16-7-3-4-8-17(16)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3/b14-11+
InChIKeyUCTIXWYRQUJVPQ-SDNWHVSQSA-N
XLogP4.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 24685808
N-(4-fluorobenzyl)-N-methyl-3-phenyl-thiophene-2-carboxamide
CID 24819439
(3-methylthiophen-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 24978700
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
(2E)-N-(4-phenylbutan-2-yl)-3-(thiophen-2-yl)prop-2-enamide
CID 5737005
3-Phenyl-1-(2-thienylcarbonyl)piperidine
CID 2893479
(E)-3-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-2-thiophen-3-ylprop-2-en-1-one;hydrochloride
CID 16196209
1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24817119
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 898747
4-Thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 89525771
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one?
The IUPAC name of (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one (CID 59149610) is (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one.
What is the SMILES notation for (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one?
The canonical SMILES for (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one is C/C(=C\C(=O)N1CCCCC1)c1cc(-c2ccccc2F)cs1.
What is the InChIKey of (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one?
The InChIKey is UCTIXWYRQUJVPQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H20FNOS/c1-14(11-19(22)21-9-5-2-6-10-21)18-12-15(13-23-18)16-7-3-4-8-17(16)20/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3/b14-11+.
What are the key properties of (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one?
(E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one has a molecular weight of 329.44 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylbut-2-en-1-one is sourced from PubChem (CID 59149610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).