(2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

C18H21FN2O2 — CID 24790067

IUPAC(2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C18H21FN2O2/c1-12-10-17(13(2)23-12)18(22)21-9-3-4-16(11-21)20-15-7-5-14(19)6-8-15/h5-8,10,16,20H,3-4,9,11H2,1-2H3
InChIKeyYYQSVGMXVFKBDV-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.75
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 24790067) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID24790067
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)c(C)o1
InChIInChI=1S/C18H21FN2O2/c1-12-10-17(13(2)23-12)18(22)21-9-3-4-16(11-21)20-15-7-5-14(19)6-8-15/h5-8,10,16,20H,3-4,9,11H2,1-2H3
InChIKeyYYQSVGMXVFKBDV-UHFFFAOYSA-N
XLogP3.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone 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 (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (CID 24790067) is (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is YYQSVGMXVFKBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-10-17(13(2)23-12)18(22)21-9-3-4-16(11-21)20-15-7-5-14(19)6-8-15/h5-8,10,16,20H,3-4,9,11H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24790067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).