(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one

C18H19N3O3 — CID 84552572

IUPAC(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
SMILESNc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19N3O3/c19-15-6-3-14(4-7-15)5-8-17(22)20-9-11-21(12-10-20)18(23)16-2-1-13-24-16/h1-8,13H,9-12,19H2/b8-5+
InChIKeyTXKZLOSFPWFUHN-VMPITWQZSA-N
MW325.37 g/mol
LogP1.86
Rot. Bonds3

About (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one

(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 84552572) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID84552572
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
SMILESNc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H19N3O3/c19-15-6-3-14(4-7-15)5-8-17(22)20-9-11-21(12-10-20)18(23)16-2-1-13-24-16/h1-8,13H,9-12,19H2/b8-5+
InChIKeyTXKZLOSFPWFUHN-VMPITWQZSA-N
XLogP1.86
TPSA79.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 115342949
3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110414474
azepan-1-yl(furan-2-yl)methanone
CID 5200992
4-(furan-2-carbonyl)-N-[(E)-2-(4-methylphenyl)ethenyl]piperazine-1-carboxamide
CID 108907475
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 6215811
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one
CID 4638657
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
(E)-3-(4-aminophenyl)-1-(3-hydroxyazetidin-1-yl)prop-2-en-1-one
CID 107217578

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one (CID 84552572) is (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one is Nc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is TXKZLOSFPWFUHN-VMPITWQZSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-15-6-3-14(4-7-15)5-8-17(22)20-9-11-21(12-10-20)18(23)16-2-1-13-24-16/h1-8,13H,9-12,19H2/b8-5+.
What are the key properties of (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 325.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 84552572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).