4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione

C19H16N2O3 — CID 867647

IUPAC4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)CC2c3ccccc3-c3ccccc32)CC(=O)N1
InChIInChI=1S/C19H16N2O3/c22-17-10-21(11-18(23)20-17)19(24)9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,20,22,23)
InChIKeyGPGOQFMSVORDSG-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.67
Rot. Bonds2

About 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione

4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione (PubChem CID 867647) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione
PubChem CID867647
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione
SMILESO=C1CN(C(=O)CC2c3ccccc3-c3ccccc32)CC(=O)N1
InChIInChI=1S/C19H16N2O3/c22-17-10-21(11-18(23)20-17)19(24)9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,20,22,23)
InChIKeyGPGOQFMSVORDSG-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione (CID 867647) is 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione is O=C1CN(C(=O)CC2c3ccccc3-c3ccccc32)CC(=O)N1.
What is the InChIKey of 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione?
The InChIKey is GPGOQFMSVORDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17-10-21(11-18(23)20-17)19(24)9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,20,22,23).
What are the key properties of 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione?
4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione has a molecular weight of 320.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-fluoren-9-yl)acetyl]piperazine-2,6-dione is sourced from PubChem (CID 867647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).