1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione

C12H18N2O3 — CID 18719607

IUPAC1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione
SMILESO=C(C(=O)N1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N2O3/c15-10(12(17)14-8-4-5-9-14)11(16)13-6-2-1-3-7-13/h1-9H2
InChIKeyVXOZABRWUVCBIL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.19
Rot. Bonds2

About 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione

1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione (PubChem CID 18719607) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione.

Molecular Properties

Compound Name1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione
PubChem CID18719607
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione
SMILESO=C(C(=O)N1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C12H18N2O3/c15-10(12(17)14-8-4-5-9-14)11(16)13-6-2-1-3-7-13/h1-9H2
InChIKeyVXOZABRWUVCBIL-UHFFFAOYSA-N
XLogP0.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.19
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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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione?
The IUPAC name of 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione (CID 18719607) is 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione.
What is the SMILES notation for 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione?
The canonical SMILES for 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione is O=C(C(=O)N1CCCCC1)C(=O)N1CCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione?
The InChIKey is VXOZABRWUVCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-10(12(17)14-8-4-5-9-14)11(16)13-6-2-1-3-7-13/h1-9H2.
What are the key properties of 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione?
1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione has a molecular weight of 238.29 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-pyrrolidin-1-ylpropane-1,2,3-trione is sourced from PubChem (CID 18719607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).