1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione

C12H15NO3 — CID 22925282

IUPAC1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCCCC1)c1ccoc1
InChIInChI=1S/C12H15NO3/c14-11(10-4-7-16-9-10)8-12(15)13-5-2-1-3-6-13/h4,7,9H,1-3,5-6,8H2
InChIKeyNYHAZSWRVZHASY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.86
Rot. Bonds3

About 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione

1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione (PubChem CID 22925282) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione
PubChem CID22925282
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione
SMILESO=C(CC(=O)N1CCCCC1)c1ccoc1
InChIInChI=1S/C12H15NO3/c14-11(10-4-7-16-9-10)8-12(15)13-5-2-1-3-6-13/h4,7,9H,1-3,5-6,8H2
InChIKeyNYHAZSWRVZHASY-UHFFFAOYSA-N
XLogP1.86
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione?
The IUPAC name of 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione (CID 22925282) is 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione?
The canonical SMILES for 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione is O=C(CC(=O)N1CCCCC1)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione?
The InChIKey is NYHAZSWRVZHASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(10-4-7-16-9-10)8-12(15)13-5-2-1-3-6-13/h4,7,9H,1-3,5-6,8H2.
What are the key properties of 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione?
1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione has a molecular weight of 221.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-piperidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 22925282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).