2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione

C17H16N2O2 — CID 61348625

IUPAC2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1C1CCNCC1
InChIInChI=1S/C17H16N2O2/c20-16-13-5-1-3-11-4-2-6-14(15(11)13)17(21)19(16)12-7-9-18-10-8-12/h1-6,12,18H,7-10H2
InChIKeyNNDDPFRNTPONGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds1

About 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione

2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 61348625) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID61348625
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1C1CCNCC1
InChIInChI=1S/C17H16N2O2/c20-16-13-5-1-3-11-4-2-6-14(15(11)13)17(21)19(16)12-7-9-18-10-8-12/h1-6,12,18H,7-10H2
InChIKeyNNDDPFRNTPONGO-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
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 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 61348625) is 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1C1CCNCC1.
What is the InChIKey of 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is NNDDPFRNTPONGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-13-5-1-3-11-4-2-6-14(15(11)13)17(21)19(16)12-7-9-18-10-8-12/h1-6,12,18H,7-10H2.
What are the key properties of 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione?
2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 61348625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).