(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one

C24H23FN2O2 — CID 27041698

IUPAC(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1cccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)CC2)c1
InChIInChI=1S/C24H23FN2O2/c1-18-5-4-6-19(17-18)26-13-15-27(16-14-26)24(28)12-10-20-9-11-23(29-20)21-7-2-3-8-22(21)25/h2-12,17H,13-16H2,1H3/b12-10+
InChIKeySZPNXFYBEMYITK-ZRDIBKRKSA-N
MW390.46 g/mol
LogP4.76
Rot. Bonds4

About (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one

(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 27041698) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID27041698
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
SMILESCc1cccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)CC2)c1
InChIInChI=1S/C24H23FN2O2/c1-18-5-4-6-19(17-18)26-13-15-27(16-14-26)24(28)12-10-20-9-11-23(29-20)21-7-2-3-8-22(21)25/h2-12,17H,13-16H2,1H3/b12-10+
InChIKeySZPNXFYBEMYITK-ZRDIBKRKSA-N
XLogP4.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.76
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

(E)-3-(2-fluorophenyl)-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 27041312
(E)-3-[5-(4-amino-2-bromophenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 132591144
(E)-3-[5-(4-amino-2-methoxyphenyl)furan-2-yl]-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 132591136
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
(Z)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-en-1-one
CID 129449640
(Z)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-en-1-one
CID 100844934
(E)-3-(2-fluorophenyl)-2-methyl-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one
CID 110298665
(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
CID 59149603
[5-(2-chlorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanethione
CID 1292490
N'-(4,6-dimethylpyrimidin-2-yl)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 71899302
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one (CID 27041698) is (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one is Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)CC2)c1.
What is the InChIKey of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is SZPNXFYBEMYITK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-18-5-4-6-19(17-18)26-13-15-27(16-14-26)24(28)12-10-20-9-11-23(29-20)21-7-2-3-8-22(21)25/h2-12,17H,13-16H2,1H3/b12-10+.
What are the key properties of (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 390.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 27041698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).