(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

C22H20FN3O2 — CID 121069385

IUPAC(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C22H20FN3O2/c23-19-11-9-17(10-12-19)21-24-25-22(28-21)18-7-4-14-26(15-18)20(27)13-8-16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2/b13-8+
InChIKeyIEYJZVOWYPYLCD-MDWZMJQESA-N
MW377.42 g/mol
LogP4.30
Rot. Bonds4

About (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 121069385) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID121069385
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1
InChIInChI=1S/C22H20FN3O2/c23-19-11-9-17(10-12-19)21-24-25-22(28-21)18-7-4-14-26(15-18)20(27)13-8-16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2/b13-8+
InChIKeyIEYJZVOWYPYLCD-MDWZMJQESA-N
XLogP4.30
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121069413
1-[(3S)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 99963533
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121069477
1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 121069321
(E)-3-(2-chlorophenyl)-1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 56763911
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
1-[2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121069465
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99963540
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
cyclohexyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897675

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one (CID 121069385) is (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCCC(c2nnc(-c3ccc(F)cc3)o2)C1.
What is the InChIKey of (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is IEYJZVOWYPYLCD-MDWZMJQESA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-19-11-9-17(10-12-19)21-24-25-22(28-21)18-7-4-14-26(15-18)20(27)13-8-16-5-2-1-3-6-16/h1-3,5-6,8-13,18H,4,7,14-15H2/b13-8+.
What are the key properties of (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 377.42 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 121069385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).