4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde

C19H20N2O3 — CID 2215551

IUPAC4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c22-14-16-6-8-18(9-7-16)24-15-19(23)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2
InChIKeyJVWBVQVMTTVOLO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.23
Rot. Bonds5

About 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde

4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde (PubChem CID 2215551) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
PubChem CID2215551
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde
SMILESO=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c22-14-16-6-8-18(9-7-16)24-15-19(23)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2
InChIKeyJVWBVQVMTTVOLO-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
2-phenoxy-1-[4-(4-phenoxyphenyl)piperazin-1-yl]ethanone
CID 113079212
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-phenoxy-1-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]ethanone
CID 113077730
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113075907
(E)-1-(4-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one
CID 5466905
1-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113079057
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
N-methyl-N-[[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]methanesulfonamide
CID 21173908
1-(4-phenylpiperazin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 2709723
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde?
The IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde (CID 2215551) is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde.
What is the SMILES notation for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde?
The canonical SMILES for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde is O=Cc1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde?
The InChIKey is JVWBVQVMTTVOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-14-16-6-8-18(9-7-16)24-15-19(23)21-12-10-20(11-13-21)17-4-2-1-3-5-17/h1-9,14H,10-13,15H2.
What are the key properties of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde?
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde has a molecular weight of 324.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzaldehyde is sourced from PubChem (CID 2215551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).