2-(piperidin-1-ylamino)naphthalene-1,4-dione

C15H16N2O2 — CID 10264387

IUPAC2-(piperidin-1-ylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NN2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C15H16N2O2/c18-14-10-13(16-17-8-4-1-5-9-17)15(19)12-7-3-2-6-11(12)14/h2-3,6-7,10,16H,1,4-5,8-9H2
InChIKeyRXKOCJITKZNIQF-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.94
Rot. Bonds2

About 2-(piperidin-1-ylamino)naphthalene-1,4-dione

2-(piperidin-1-ylamino)naphthalene-1,4-dione (PubChem CID 10264387) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(piperidin-1-ylamino)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(piperidin-1-ylamino)naphthalene-1,4-dione
PubChem CID10264387
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(piperidin-1-ylamino)naphthalene-1,4-dione
SMILESO=C1C=C(NN2CCCCC2)C(=O)c2ccccc21
InChIInChI=1S/C15H16N2O2/c18-14-10-13(16-17-8-4-1-5-9-17)15(19)12-7-3-2-6-11(12)14/h2-3,6-7,10,16H,1,4-5,8-9H2
InChIKeyRXKOCJITKZNIQF-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylamino)naphthalene-1,4-dione?
The IUPAC name of 2-(piperidin-1-ylamino)naphthalene-1,4-dione (CID 10264387) is 2-(piperidin-1-ylamino)naphthalene-1,4-dione.
What is the SMILES notation for 2-(piperidin-1-ylamino)naphthalene-1,4-dione?
The canonical SMILES for 2-(piperidin-1-ylamino)naphthalene-1,4-dione is O=C1C=C(NN2CCCCC2)C(=O)c2ccccc21.
What is the InChIKey of 2-(piperidin-1-ylamino)naphthalene-1,4-dione?
The InChIKey is RXKOCJITKZNIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-10-13(16-17-8-4-1-5-9-17)15(19)12-7-3-2-6-11(12)14/h2-3,6-7,10,16H,1,4-5,8-9H2.
What are the key properties of 2-(piperidin-1-ylamino)naphthalene-1,4-dione?
2-(piperidin-1-ylamino)naphthalene-1,4-dione has a molecular weight of 256.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylamino)naphthalene-1,4-dione is sourced from PubChem (CID 10264387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).