(E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

C17H18N2O2 — CID 878017

IUPAC(E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N2O2/c20-17(9-8-16-7-4-14-21-16)19-12-10-18(11-13-19)15-5-2-1-3-6-15/h1-9,14H,10-13H2/b9-8+
InChIKeyIRYYXUIUCAFEIC-CMDGGOBGSA-N
MW282.34 g/mol
LogP2.64
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 878017) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
PubChem CID878017
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N2O2/c20-17(9-8-16-7-4-14-21-16)19-12-10-18(11-13-19)15-5-2-1-3-6-15/h1-9,14H,10-13H2/b9-8+
InChIKeyIRYYXUIUCAFEIC-CMDGGOBGSA-N
XLogP2.64
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one (CID 878017) is (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is IRYYXUIUCAFEIC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(9-8-16-7-4-14-21-16)19-12-10-18(11-13-19)15-5-2-1-3-6-15/h1-9,14H,10-13H2/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 878017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).