2,5-dimethyl-4-piperidin-1-ylfuran-3-one

C11H17NO2 — CID 19877454

IUPAC2,5-dimethyl-4-piperidin-1-ylfuran-3-one
SMILESCC1=C(N2CCCCC2)C(=O)C(C)O1
InChIInChI=1S/C11H17NO2/c1-8-10(11(13)9(2)14-8)12-6-4-3-5-7-12/h9H,3-7H2,1-2H3
InChIKeyXKYAFTSWTIYHHB-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.69
Rot. Bonds1

About 2,5-dimethyl-4-piperidin-1-ylfuran-3-one

2,5-dimethyl-4-piperidin-1-ylfuran-3-one (PubChem CID 19877454) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2,5-dimethyl-4-piperidin-1-ylfuran-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-piperidin-1-ylfuran-3-one
PubChem CID19877454
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2,5-dimethyl-4-piperidin-1-ylfuran-3-one
SMILESCC1=C(N2CCCCC2)C(=O)C(C)O1
InChIInChI=1S/C11H17NO2/c1-8-10(11(13)9(2)14-8)12-6-4-3-5-7-12/h9H,3-7H2,1-2H3
InChIKeyXKYAFTSWTIYHHB-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-piperidin-1-ylfuran-3-one?
The IUPAC name of 2,5-dimethyl-4-piperidin-1-ylfuran-3-one (CID 19877454) is 2,5-dimethyl-4-piperidin-1-ylfuran-3-one.
What is the SMILES notation for 2,5-dimethyl-4-piperidin-1-ylfuran-3-one?
The canonical SMILES for 2,5-dimethyl-4-piperidin-1-ylfuran-3-one is CC1=C(N2CCCCC2)C(=O)C(C)O1.
What is the InChIKey of 2,5-dimethyl-4-piperidin-1-ylfuran-3-one?
The InChIKey is XKYAFTSWTIYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-10(11(13)9(2)14-8)12-6-4-3-5-7-12/h9H,3-7H2,1-2H3.
What are the key properties of 2,5-dimethyl-4-piperidin-1-ylfuran-3-one?
2,5-dimethyl-4-piperidin-1-ylfuran-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-piperidin-1-ylfuran-3-one is sourced from PubChem (CID 19877454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).