(2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C17H19FN2O2 — CID 7494450

IUPAC(2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C17H19FN2O2/c1-12-11-16(13(2)22-12)17(21)20-9-7-19(8-10-20)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyRGVZIRHHCQXQGH-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.00
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 7494450) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID7494450
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)o1
InChIInChI=1S/C17H19FN2O2/c1-12-11-16(13(2)22-12)17(21)20-9-7-19(8-10-20)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3
InChIKeyRGVZIRHHCQXQGH-UHFFFAOYSA-N
XLogP3.00
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 7494450) is (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is RGVZIRHHCQXQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-11-16(13(2)22-12)17(21)20-9-7-19(8-10-20)15-5-3-14(18)4-6-15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 7494450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).