4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde

C17H22N4O3 — CID 108530923

IUPAC4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H22N4O3/c22-14-18-6-8-20(9-7-18)16(23)17(24)21-12-10-19(11-13-21)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyDIYDTUGAFWCNHN-UHFFFAOYSA-N
MW330.39 g/mol
LogP-0.36
Rot. Bonds2

About 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde

4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde (PubChem CID 108530923) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
PubChem CID108530923
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H22N4O3/c22-14-18-6-8-20(9-7-18)16(23)17(24)21-12-10-19(11-13-21)15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyDIYDTUGAFWCNHN-UHFFFAOYSA-N
XLogP-0.36
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
2-oxo-2-(4-phenylpiperazin-1-yl)acetate
CID 2051799
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108504777
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
4-[2-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302856
4-[6-(4-phenylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345734
4-[2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108961055

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde (CID 108530923) is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde?
The InChIKey is DIYDTUGAFWCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-14-18-6-8-20(9-7-18)16(23)17(24)21-12-10-19(11-13-21)15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde?
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde has a molecular weight of 330.39 g/mol, XLogP of -0.36, 2 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)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108530923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).