1,3-di(piperidin-1-yl)propane-1,2,3-trione

C13H20N2O3 — CID 18719609

IUPAC1,3-di(piperidin-1-yl)propane-1,2,3-trione
SMILESO=C(C(=O)N1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O3/c16-11(12(17)14-7-3-1-4-8-14)13(18)15-9-5-2-6-10-15/h1-10H2
InChIKeyXYOCLIQRPJQKDJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.58
Rot. Bonds2

About 1,3-di(piperidin-1-yl)propane-1,2,3-trione

1,3-di(piperidin-1-yl)propane-1,2,3-trione (PubChem CID 18719609) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,3-di(piperidin-1-yl)propane-1,2,3-trione.

Molecular Properties

Compound Name1,3-di(piperidin-1-yl)propane-1,2,3-trione
PubChem CID18719609
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1,3-di(piperidin-1-yl)propane-1,2,3-trione
SMILESO=C(C(=O)N1CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N2O3/c16-11(12(17)14-7-3-1-4-8-14)13(18)15-9-5-2-6-10-15/h1-10H2
InChIKeyXYOCLIQRPJQKDJ-UHFFFAOYSA-N
XLogP0.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Di(piperidin-1-yl)propane-1,3-dione
CID 2334552
1-(3-Piperidin-1-ylpropanoyl)piperidin-4-one
CID 123539984
1-(3-Piperidinopropionyl)piperidine hydrochloride
CID 3030626
1-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]acetyl]piperidin-4-one
CID 62968057
1,3-Di(piperidin-1-yl)propan-1-one
CID 3030627
1-Piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione
CID 18719607
1-[4-(2,3-Dioxo-3-piperidin-1-ylpropanoyl)piperazin-1-yl]-3-piperidin-1-ylpropane-1,2,3-trione
CID 18719610
1-[2-(4-Methylpiperazin-1-yl)acetyl]piperidin-4-one
CID 43229278
1,3-Di(piperidin-1-yl)propane-1,2-dione
CID 91261933
3-Morpholin-4-yl-1-piperidin-1-ylpropane-1,2-dione
CID 91515216
1-[3-(4-Acetylpiperazin-1-yl)propanoyl]piperidin-4-one
CID 91564845
1-Piperidin-1-ylpropan-1-one;1-piperidin-1-ylpropan-2-one
CID 157993567

Frequently Asked Questions

What is the IUPAC name of 1,3-di(piperidin-1-yl)propane-1,2,3-trione?
The IUPAC name of 1,3-di(piperidin-1-yl)propane-1,2,3-trione (CID 18719609) is 1,3-di(piperidin-1-yl)propane-1,2,3-trione.
What is the SMILES notation for 1,3-di(piperidin-1-yl)propane-1,2,3-trione?
The canonical SMILES for 1,3-di(piperidin-1-yl)propane-1,2,3-trione is O=C(C(=O)N1CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of 1,3-di(piperidin-1-yl)propane-1,2,3-trione?
The InChIKey is XYOCLIQRPJQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-11(12(17)14-7-3-1-4-8-14)13(18)15-9-5-2-6-10-15/h1-10H2.
What are the key properties of 1,3-di(piperidin-1-yl)propane-1,2,3-trione?
1,3-di(piperidin-1-yl)propane-1,2,3-trione has a molecular weight of 252.31 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(piperidin-1-yl)propane-1,2,3-trione is sourced from PubChem (CID 18719609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).