3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde

C17H16N2O2 — CID 143166174

IUPAC3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cccc(-c3ccccc3)c2)C(=O)C1
InChIInChI=1S/C17H16N2O2/c20-13-18-9-10-19(17(21)12-18)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2
InChIKeySITYCZCBJKYBOL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.16
Rot. Bonds3

About 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde

3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde (PubChem CID 143166174) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde
PubChem CID143166174
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cccc(-c3ccccc3)c2)C(=O)C1
InChIInChI=1S/C17H16N2O2/c20-13-18-9-10-19(17(21)12-18)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2
InChIKeySITYCZCBJKYBOL-UHFFFAOYSA-N
XLogP2.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-oxo-4-(3-phenylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde?
The IUPAC name of 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde (CID 143166174) is 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde?
The canonical SMILES for 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde is O=CN1CCN(c2cccc(-c3ccccc3)c2)C(=O)C1.
What is the InChIKey of 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde?
The InChIKey is SITYCZCBJKYBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-13-18-9-10-19(17(21)12-18)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-8,11,13H,9-10,12H2.
What are the key properties of 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde?
3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde has a molecular weight of 280.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(3-phenylphenyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 143166174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).