3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde

C19H17NO4 — CID 143235906

IUPAC3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde
SMILESCOc1ccc(C2CC(=O)CN(C=O)C2)c2c1oc1ccccc12
InChIInChI=1S/C19H17NO4/c1-23-17-7-6-14(12-8-13(22)10-20(9-12)11-21)18-15-4-2-3-5-16(15)24-19(17)18/h2-7,11-12H,8-10H2,1H3
InChIKeyRULCXWAFMWBXLU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde

3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde (PubChem CID 143235906) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde
PubChem CID143235906
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde
SMILESCOc1ccc(C2CC(=O)CN(C=O)C2)c2c1oc1ccccc12
InChIInChI=1S/C19H17NO4/c1-23-17-7-6-14(12-8-13(22)10-20(9-12)11-21)18-15-4-2-3-5-16(15)24-19(17)18/h2-7,11-12H,8-10H2,1H3
InChIKeyRULCXWAFMWBXLU-UHFFFAOYSA-N
XLogP3.11
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde?
The IUPAC name of 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde (CID 143235906) is 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde.
What is the SMILES notation for 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde?
The canonical SMILES for 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde is COc1ccc(C2CC(=O)CN(C=O)C2)c2c1oc1ccccc12.
What is the InChIKey of 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde?
The InChIKey is RULCXWAFMWBXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-17-7-6-14(12-8-13(22)10-20(9-12)11-21)18-15-4-2-3-5-16(15)24-19(17)18/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde?
3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde has a molecular weight of 323.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxydibenzofuran-1-yl)-5-oxopiperidine-1-carbaldehyde is sourced from PubChem (CID 143235906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).