6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione

C20H22N2O2 — CID 2937970

IUPAC6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione
SMILESCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C20H22N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h6-10H,2-5,11-13H2,1H3
InChIKeyHQMQFHFVFAVFDV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.84
Rot. Bonds3

About 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione

6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione (PubChem CID 2937970) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione
PubChem CID2937970
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione
SMILESCCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
InChIInChI=1S/C20H22N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h6-10H,2-5,11-13H2,1H3
InChIKeyHQMQFHFVFAVFDV-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione 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 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione (CID 2937970) is 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione is CCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O.
What is the InChIKey of 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is HQMQFHFVFAVFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-11-22-19(23)15-8-6-7-14-17(21-12-4-3-5-13-21)10-9-16(18(14)15)20(22)24/h6-10H,2-5,11-13H2,1H3.
What are the key properties of 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione?
6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 322.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-propylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2937970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).