(E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

C19H18FN3O2 — CID 842173

IUPAC(E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H18FN3O2/c20-16-6-2-3-7-17(16)22-19(24)14(13-21)12-15-8-9-18(25-15)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24)/b14-12+
InChIKeyKGDAGFVRJRWFMX-WYMLVPIESA-N
MW339.37 g/mol
LogP3.95
Rot. Bonds4

About (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

(E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (PubChem CID 842173) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
PubChem CID842173
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H18FN3O2/c20-16-6-2-3-7-17(16)22-19(24)14(13-21)12-15-8-9-18(25-15)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24)/b14-12+
InChIKeyKGDAGFVRJRWFMX-WYMLVPIESA-N
XLogP3.95
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (CID 842173) is (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1F.
What is the InChIKey of (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The InChIKey is KGDAGFVRJRWFMX-WYMLVPIESA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-16-6-2-3-7-17(16)22-19(24)14(13-21)12-15-8-9-18(25-15)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,24)/b14-12+.
What are the key properties of (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
(E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide has a molecular weight of 339.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-fluorophenyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 842173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).