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

C18H17FN2O3 — CID 33014305

IUPAC(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17FN2O3/c19-15-4-1-3-14(13-15)18(23)21-10-8-20(9-11-21)17(22)7-6-16-5-2-12-24-16/h1-7,12-13H,8-11H2/b7-6+
InChIKeyPFZPLIZPXMWCCX-VOTSOKGWSA-N
MW328.34 g/mol
LogP2.42
Rot. Bonds3

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

(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 33014305) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
PubChem CID33014305
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H17FN2O3/c19-15-4-1-3-14(13-15)18(23)21-10-8-20(9-11-21)17(22)7-6-16-5-2-12-24-16/h1-7,12-13H,8-11H2/b7-6+
InChIKeyPFZPLIZPXMWCCX-VOTSOKGWSA-N
XLogP2.42
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.42
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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Related Compounds

1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 4805717
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
(E)-3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 1292610
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 33014689
(E)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 71808788
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
(E)-1-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 6215537
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one (CID 33014305) is (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is PFZPLIZPXMWCCX-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-15-4-1-3-14(13-15)18(23)21-10-8-20(9-11-21)17(22)7-6-16-5-2-12-24-16/h1-7,12-13H,8-11H2/b7-6+.
What are the key properties of (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 328.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 33014305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).