4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde

C19H16N2O3 — CID 801432

IUPAC4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1
InChIInChI=1S/C19H16N2O3/c22-12-20-8-10-21(11-9-20)19(24)16-7-3-6-15-17(16)13-4-1-2-5-14(13)18(15)23/h1-7,12H,8-11H2
InChIKeyQULOBZQMMRBRRB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.81
Rot. Bonds2

About 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde

4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde (PubChem CID 801432) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde
PubChem CID801432
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1
InChIInChI=1S/C19H16N2O3/c22-12-20-8-10-21(11-9-20)19(24)16-7-3-6-15-17(16)13-4-1-2-5-14(13)18(15)23/h1-7,12H,8-11H2
InChIKeyQULOBZQMMRBRRB-UHFFFAOYSA-N
XLogP1.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(9-oxofluorene-4-carbonyl)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 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde (CID 801432) is 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2cccc3c2-c2ccccc2C3=O)CC1.
What is the InChIKey of 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is QULOBZQMMRBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-12-20-8-10-21(11-9-20)19(24)16-7-3-6-15-17(16)13-4-1-2-5-14(13)18(15)23/h1-7,12H,8-11H2.
What are the key properties of 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde?
4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 320.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-oxofluorene-4-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 801432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).