2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone

C12H17NO2 — CID 86101854

IUPAC2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone
SMILESCc1ccoc1CC(=O)N1CCCCC1
InChIInChI=1S/C12H17NO2/c1-10-5-8-15-11(10)9-12(14)13-6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3
InChIKeySHMIOHILKGIQOI-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.14
Rot. Bonds2

About 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone

2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone (PubChem CID 86101854) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone
PubChem CID86101854
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone
SMILESCc1ccoc1CC(=O)N1CCCCC1
InChIInChI=1S/C12H17NO2/c1-10-5-8-15-11(10)9-12(14)13-6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3
InChIKeySHMIOHILKGIQOI-UHFFFAOYSA-N
XLogP2.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone (CID 86101854) is 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone is Cc1ccoc1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone?
The InChIKey is SHMIOHILKGIQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10-5-8-15-11(10)9-12(14)13-6-3-2-4-7-13/h5,8H,2-4,6-7,9H2,1H3.
What are the key properties of 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone?
2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone has a molecular weight of 207.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 86101854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).