(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one

C18H18FNOS — CID 24961735

IUPAC(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCCCC1
InChIInChI=1S/C18H18FNOS/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2/b11-9+
InChIKeyINGITBJDQRXNAD-PKNBQFBNSA-N
MW315.41 g/mol
LogP4.58
Rot. Bonds3

About (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one

(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 24961735) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID24961735
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCCCC1
InChIInChI=1S/C18H18FNOS/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2/b11-9+
InChIKeyINGITBJDQRXNAD-PKNBQFBNSA-N
XLogP4.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 67511313
(4-Benzylpiperidin-1-yl)(thiophen-2-yl)methanone
CID 779610
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
(E)-3-(5-methylthiophen-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 43025563
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 898747
3-Buten-2-one, 4-phenyl-1-piperidino-4-(2-thienyl)-
CID 6433299
(Z)-3-phenethyl-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-4-one
CID 1720469
1-(4-Benzylpiperidin-1-yl)-2-(thiophen-2-yl)ethanone
CID 669874
(E)-1-(4-acetylpiperazin-1-yl)-3-(4-fluorophenyl)-2-thiophen-3-ylprop-2-en-1-one
CID 2349712
(5-Ethylthiophen-2-yl)[4-(4-fluorobenzyl)piperazin-1-yl]methanone
CID 17249671
[5-(3,4-Difluorophenyl)thiophen-2-yl]-piperidin-1-ylmethanone
CID 24720318

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one (CID 24961735) is (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N1CCCCC1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is INGITBJDQRXNAD-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H18FNOS/c19-15-6-4-14(5-7-15)17-10-8-16(22-17)9-11-18(21)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2/b11-9+.
What are the key properties of (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 315.41 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)thiophen-2-yl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 24961735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).