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

C20H18F2N2O2 — CID 35206012

IUPAC(E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H18F2N2O2/c21-16-8-5-15(6-9-16)7-10-19(25)23-11-13-24(14-12-23)20(26)17-3-1-2-4-18(17)22/h1-10H,11-14H2/b10-7+
InChIKeyGZMYFWJOMASAON-JXMROGBWSA-N
MW356.37 g/mol
LogP2.96
Rot. Bonds3

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

(E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one (PubChem CID 35206012) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
PubChem CID35206012
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C20H18F2N2O2/c21-16-8-5-15(6-9-16)7-10-19(25)23-11-13-24(14-12-23)20(26)17-3-1-2-4-18(17)22/h1-10H,11-14H2/b10-7+
InChIKeyGZMYFWJOMASAON-JXMROGBWSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 52.96
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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Related Compounds

(E)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 108567719
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(E)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 33135242
[2-(piperidine-1-carbonyl)phenyl] 3-(4-fluorophenyl)prop-2-enoate
CID 4239004
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 771054
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
3-(2-fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 84925595
4-[(E)-3-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55778658
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110802313

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one (CID 35206012) is (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one?
The InChIKey is GZMYFWJOMASAON-JXMROGBWSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c21-16-8-5-15(6-9-16)7-10-19(25)23-11-13-24(14-12-23)20(26)17-3-1-2-4-18(17)22/h1-10H,11-14H2/b10-7+.
What are the key properties of (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one?
(E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one has a molecular weight of 356.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one is sourced from PubChem (CID 35206012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).