4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde

C15H16N2O3 — CID 110850236

IUPAC4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)Cc2coc3ccccc23)CC1
InChIInChI=1S/C15H16N2O3/c18-11-16-5-7-17(8-6-16)15(19)9-12-10-20-14-4-2-1-3-13(12)14/h1-4,10-11H,5-9H2
InChIKeyWVDIVLPBWWLCSV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.28
Rot. Bonds3

About 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde

4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde (PubChem CID 110850236) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
PubChem CID110850236
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)Cc2coc3ccccc23)CC1
InChIInChI=1S/C15H16N2O3/c18-11-16-5-7-17(8-6-16)15(19)9-12-10-20-14-4-2-1-3-13(12)14/h1-4,10-11H,5-9H2
InChIKeyWVDIVLPBWWLCSV-UHFFFAOYSA-N
XLogP1.28
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850189
2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276986
3-(1-benzofuran-3-ylmethylamino)-1-morpholin-4-ylpropan-1-one
CID 115750353
N-[2-[1-[2-(1-benzofuran-3-yl)acetyl]piperidin-4-yl]-2-methylpropyl]-2-chloroacetamide
CID 167919805
1-(4-benzylpiperazin-1-yl)-2-(5-bromo-1-benzofuran-3-yl)ethanone
CID 18860427
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-1-benzofuran-3-yl)ethanone
CID 18860467
2-(5-ethyl-1-benzofuran-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 18872472
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
2-(1-benzofuran-3-yl)-1-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 126799114

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde (CID 110850236) is 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)Cc2coc3ccccc23)CC1.
What is the InChIKey of 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde?
The InChIKey is WVDIVLPBWWLCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-11-16-5-7-17(8-6-16)15(19)9-12-10-20-14-4-2-1-3-13(12)14/h1-4,10-11H,5-9H2.
What are the key properties of 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde?
4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde has a molecular weight of 272.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110850236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).