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

C18H18FNO2 — CID 2313903

IUPAC(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCCC1
InChIInChI=1S/C18H18FNO2/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+
InChIKeyKMDBNLQXQPGUKN-PKNBQFBNSA-N
MW299.35 g/mol
LogP4.11
Rot. Bonds3

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

(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 2313903) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
PubChem CID2313903
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCCC1
InChIInChI=1S/C18H18FNO2/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+
InChIKeyKMDBNLQXQPGUKN-PKNBQFBNSA-N
XLogP4.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one (CID 2313903) is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1CCCCC1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is KMDBNLQXQPGUKN-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H18FNO2/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)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 299.35 g/mol, XLogP of 4.11, 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)furan-2-yl]-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 2313903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).