1-piperidin-1-ylpropane-1,2-dione

C8H13NO2 — CID 13011877

IUPAC1-piperidin-1-ylpropane-1,2-dione
SMILESCC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C8H13NO2/c1-7(10)8(11)9-5-3-2-4-6-9/h2-6H2,1H3
InChIKeyDGQAGWCQIABFCK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds1

About 1-piperidin-1-ylpropane-1,2-dione

1-piperidin-1-ylpropane-1,2-dione (PubChem CID 13011877) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-piperidin-1-ylpropane-1,2-dione.

Molecular Properties

Compound Name1-piperidin-1-ylpropane-1,2-dione
PubChem CID13011877
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-piperidin-1-ylpropane-1,2-dione
SMILESCC(=O)C(=O)N1CCCCC1
InChIInChI=1S/C8H13NO2/c1-7(10)8(11)9-5-3-2-4-6-9/h2-6H2,1H3
InChIKeyDGQAGWCQIABFCK-UHFFFAOYSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropane-1,2-dione?
The IUPAC name of 1-piperidin-1-ylpropane-1,2-dione (CID 13011877) is 1-piperidin-1-ylpropane-1,2-dione.
What is the SMILES notation for 1-piperidin-1-ylpropane-1,2-dione?
The canonical SMILES for 1-piperidin-1-ylpropane-1,2-dione is CC(=O)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpropane-1,2-dione?
The InChIKey is DGQAGWCQIABFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(10)8(11)9-5-3-2-4-6-9/h2-6H2,1H3.
What are the key properties of 1-piperidin-1-ylpropane-1,2-dione?
1-piperidin-1-ylpropane-1,2-dione has a molecular weight of 155.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropane-1,2-dione is sourced from PubChem (CID 13011877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).