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

C17H20ClFN2O2 — CID 120737581

IUPAC(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCNCC2c2cccc(F)c2)o1.Cl
InChIInChI=1S/C17H19FN2O2.ClH/c1-11-8-12(2)22-16(11)17(21)20-7-6-19-10-15(20)13-4-3-5-14(18)9-13;/h3-5,8-9,15,19H,6-7,10H2,1-2H3;1H
InChIKeyYMWRFUIMKMRDBN-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.24
Rot. Bonds2

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

(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120737581) has the molecular formula C17H20ClFN2O2 and a molecular weight of 338.81 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120737581
Molecular FormulaC17H20ClFN2O2
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC Name(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1cc(C)c(C(=O)N2CCNCC2c2cccc(F)c2)o1.Cl
InChIInChI=1S/C17H19FN2O2.ClH/c1-11-8-12(2)22-16(11)17(21)20-7-6-19-10-15(20)13-4-3-5-14(18)9-13;/h3-5,8-9,15,19H,6-7,10H2,1-2H3;1H
InChIKeyYMWRFUIMKMRDBN-UHFFFAOYSA-N
XLogP3.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 120736765
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(5-ethyl-4-methylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735525
(4,5-dimethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736069
(2,5-dimethylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736000
(3-ethylthiophen-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736289
(1,5-dimethyltriazol-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737933
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
(5-bromofuran-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736646

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120737581) is (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is Cc1cc(C)c(C(=O)N2CCNCC2c2cccc(F)c2)o1.Cl.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is YMWRFUIMKMRDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2.ClH/c1-11-8-12(2)22-16(11)17(21)20-7-6-19-10-15(20)13-4-3-5-14(18)9-13;/h3-5,8-9,15,19H,6-7,10H2,1-2H3;1H.
What are the key properties of (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
(3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 338.81 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120737581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).