(E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one

C20H24N2O2 — CID 55591841

IUPAC(E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc2ccccc2o1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(10-9-18-15-16-5-1-4-8-19(16)24-18)22-13-11-21(12-14-22)17-6-2-3-7-17/h1,4-5,8-10,15,17H,2-3,6-7,11-14H2/b10-9+
InChIKeyVFCPSHHZNXCCJU-MDZDMXLPSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds3

About (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one

(E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 55591841) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
PubChem CID55591841
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cc2ccccc2o1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H24N2O2/c23-20(10-9-18-15-16-5-1-4-8-19(16)24-18)22-13-11-21(12-14-22)17-6-2-3-7-17/h1,4-5,8-10,15,17H,2-3,6-7,11-14H2/b10-9+
InChIKeyVFCPSHHZNXCCJU-MDZDMXLPSA-N
XLogP3.53
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
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-(1-benzofuran-2-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 78838114
(E)-3-(1-benzofuran-2-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 110023820
(E)-3-(1-benzofuran-2-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 33315906
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
1-(4-amino-2-methylpiperidin-1-yl)-3-(1-benzofuran-2-yl)prop-2-en-1-one
CID 126786591
4-[(E)-3-(1-benzofuran-2-yl)prop-2-enoyl]-3-methyl-1,4-diazepan-2-one
CID 166219985
(E)-1-(4-cyclobutyl-1,4-diazepan-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 131702219
1-(4-cyclohexylpiperazin-1-yl)-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 69022770
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
(E)-1-(4-benzylpiperazin-1-yl)-3-(5-methoxy-1-benzofuran-2-yl)prop-2-en-1-one
CID 10339491

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one (CID 55591841) is (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one is O=C(/C=C/c1cc2ccccc2o1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is VFCPSHHZNXCCJU-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20(10-9-18-15-16-5-1-4-8-19(16)24-18)22-13-11-21(12-14-22)17-6-2-3-7-17/h1,4-5,8-10,15,17H,2-3,6-7,11-14H2/b10-9+.
What are the key properties of (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzofuran-2-yl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 55591841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).