(E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile

C18H17FN2O — CID 2228772

IUPAC(E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O/c19-16-6-4-5-14(11-16)15(13-20)12-17-7-8-18(22-17)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2/b15-12-
InChIKeyOUPWYEZGLXGOCJ-QINSGFPZSA-N
MW296.35 g/mol
LogP4.47
Rot. Bonds3

About (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile

(E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile (PubChem CID 2228772) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
PubChem CID2228772
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name(E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O/c19-16-6-4-5-14(11-16)15(13-20)12-17-7-8-18(22-17)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2/b15-12-
InChIKeyOUPWYEZGLXGOCJ-QINSGFPZSA-N
XLogP4.47
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-[5-(1-Azepanyl)-2-furyl]-2-(4-chlorophenyl)acrylonitrile
CID 2201553
(E)-2-(Morpholine-4-carbonyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 839237
(5E)-3-[(4-fluorophenyl)methyl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5791561
(E)-3-(5-Morpholin-4-yl-furan-2-yl)-2-p-tolyl-acrylonitrile
CID 2301821
(Z)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-phenylprop-2-enamide
CID 5727752
(Z)-3-(5-Morpholin-4-yl-furan-2-yl)-2-phenyl-acrylonitrile
CID 802293
(2Z)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
CID 921800
(Z)-N-benzyl-2-cyano-3-[5-(diethylamino)furan-2-yl]prop-2-enamide
CID 929467
2-(4-Chloro-phenyl)-3-(5-morpholin-4-yl-furan-2-yl)-acrylonitrile
CID 1918048
(E)-2-cyano-3-(5-morpholin-4-ylfuran-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 1971752
(E)-3-[5-(azepan-1-yl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227134
(5Z)-3-(4-fluorobenzyl)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-1,3-thiazolidine-2,4-dione
CID 9551286

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile (CID 2228772) is (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile is N#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(F)c1.
What is the InChIKey of (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile?
The InChIKey is OUPWYEZGLXGOCJ-QINSGFPZSA-N. The full InChI is InChI=1S/C18H17FN2O/c19-16-6-4-5-14(11-16)15(13-20)12-17-7-8-18(22-17)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2/b15-12-.
What are the key properties of (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile?
(E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile has a molecular weight of 296.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 2228772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).