4-piperidin-1-ylnaphthalene-1,2-dione

C15H15NO2 — CID 3393623

IUPAC4-piperidin-1-ylnaphthalene-1,2-dione
SMILESO=C1C=C(N2CCCCC2)c2ccccc2C1=O
InChIInChI=1S/C15H15NO2/c17-14-10-13(16-8-4-1-5-9-16)11-6-2-3-7-12(11)15(14)18/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyCJXORYYEEAJZSR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.28
Rot. Bonds1

About 4-piperidin-1-ylnaphthalene-1,2-dione

4-piperidin-1-ylnaphthalene-1,2-dione (PubChem CID 3393623) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-piperidin-1-ylnaphthalene-1,2-dione.

Molecular Properties

Compound Name4-piperidin-1-ylnaphthalene-1,2-dione
PubChem CID3393623
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name4-piperidin-1-ylnaphthalene-1,2-dione
SMILESO=C1C=C(N2CCCCC2)c2ccccc2C1=O
InChIInChI=1S/C15H15NO2/c17-14-10-13(16-8-4-1-5-9-16)11-6-2-3-7-12(11)15(14)18/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyCJXORYYEEAJZSR-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylnaphthalene-1,2-dione?
The IUPAC name of 4-piperidin-1-ylnaphthalene-1,2-dione (CID 3393623) is 4-piperidin-1-ylnaphthalene-1,2-dione.
What is the SMILES notation for 4-piperidin-1-ylnaphthalene-1,2-dione?
The canonical SMILES for 4-piperidin-1-ylnaphthalene-1,2-dione is O=C1C=C(N2CCCCC2)c2ccccc2C1=O.
What is the InChIKey of 4-piperidin-1-ylnaphthalene-1,2-dione?
The InChIKey is CJXORYYEEAJZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-14-10-13(16-8-4-1-5-9-16)11-6-2-3-7-12(11)15(14)18/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 4-piperidin-1-ylnaphthalene-1,2-dione?
4-piperidin-1-ylnaphthalene-1,2-dione has a molecular weight of 241.29 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylnaphthalene-1,2-dione is sourced from PubChem (CID 3393623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).