1,3-di(piperidin-1-yl)propane-1,3-dione

C13H22N2O2 — CID 2334552

IUPAC1,3-di(piperidin-1-yl)propane-1,3-dione
SMILESO=C(CC(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-12(14-7-3-1-4-8-14)11-13(17)15-9-5-2-6-10-15/h1-11H2
InChIKeyFFUHZFJGULSMMA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds2

About 1,3-di(piperidin-1-yl)propane-1,3-dione

1,3-di(piperidin-1-yl)propane-1,3-dione (PubChem CID 2334552) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,3-di(piperidin-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1,3-di(piperidin-1-yl)propane-1,3-dione
PubChem CID2334552
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1,3-di(piperidin-1-yl)propane-1,3-dione
SMILESO=C(CC(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-12(14-7-3-1-4-8-14)11-13(17)15-9-5-2-6-10-15/h1-11H2
InChIKeyFFUHZFJGULSMMA-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(piperidin-1-yl)propane-1,3-dione?
The IUPAC name of 1,3-di(piperidin-1-yl)propane-1,3-dione (CID 2334552) is 1,3-di(piperidin-1-yl)propane-1,3-dione.
What is the SMILES notation for 1,3-di(piperidin-1-yl)propane-1,3-dione?
The canonical SMILES for 1,3-di(piperidin-1-yl)propane-1,3-dione is O=C(CC(=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1,3-di(piperidin-1-yl)propane-1,3-dione?
The InChIKey is FFUHZFJGULSMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12(14-7-3-1-4-8-14)11-13(17)15-9-5-2-6-10-15/h1-11H2.
What are the key properties of 1,3-di(piperidin-1-yl)propane-1,3-dione?
1,3-di(piperidin-1-yl)propane-1,3-dione has a molecular weight of 238.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(piperidin-1-yl)propane-1,3-dione is sourced from PubChem (CID 2334552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).