2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

C23H25N3O3 — CID 55451880

IUPAC2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1
InChIInChI=1S/C23H25N3O3/c1-2-9-24-21(27)15-25-10-12-26(13-11-25)22(28)14-18-16-29-20-8-7-17-5-3-4-6-19(17)23(18)20/h2-8,16H,1,9-15H2,(H,24,27)
InChIKeyNTISWBJIPSJJPF-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55451880) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55451880
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1
InChIInChI=1S/C23H25N3O3/c1-2-9-24-21(27)15-25-10-12-26(13-11-25)22(28)14-18-16-29-20-8-7-17-5-3-4-6-19(17)23(18)20/h2-8,16H,1,9-15H2,(H,24,27)
InChIKeyNTISWBJIPSJJPF-UHFFFAOYSA-N
XLogP2.57
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022766
2-benzo[e][1]benzofuran-1-yl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone
CID 7974773
2-benzo[e][1]benzofuran-1-yl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 4628724
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
2-[4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451858
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 46493823
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 119837821
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
1-prop-2-enylbenzo[e][1]benzofuran
CID 57196603
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide (CID 55451880) is 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1.
What is the InChIKey of 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is NTISWBJIPSJJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-9-24-21(27)15-25-10-12-26(13-11-25)22(28)14-18-16-29-20-8-7-17-5-3-4-6-19(17)23(18)20/h2-8,16H,1,9-15H2,(H,24,27).
What are the key properties of 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 391.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzo[e][1]benzofuran-1-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55451880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).