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

C19H23N3O4 — CID 55848991

IUPAC(2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1
InChIInChI=1S/C19H23N3O4/c1-14-13-18(15(2)26-14)19(23)21-11-9-20(10-12-21)8-7-16-3-5-17(6-4-16)22(24)25/h3-6,13H,7-12H2,1-2H3
InChIKeyNWFUSCSALWDMFG-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.81
Rot. Bonds5

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

(2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 55848991) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID55848991
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1
InChIInChI=1S/C19H23N3O4/c1-14-13-18(15(2)26-14)19(23)21-11-9-20(10-12-21)8-7-16-3-5-17(6-4-16)22(24)25/h3-6,13H,7-12H2,1-2H3
InChIKeyNWFUSCSALWDMFG-UHFFFAOYSA-N
XLogP2.81
TPSA79.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-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

Related Compounds

[4-(3-aminopropyl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43251237
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308395
[4-(2-hydroxyethyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone
CID 61292274
(2,5-dimethylfuran-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 78802306
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 31331971
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethanone
CID 60505162
(2,5-dimethylfuran-3-yl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788591
methyl 4-[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethoxy]benzoate
CID 55827793
1-(2,5-dimethylfuran-3-yl)-3-(4-nitrophenyl)propane-1,3-dione
CID 43321283

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone (CID 55848991) is (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is NWFUSCSALWDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-13-18(15(2)26-14)19(23)21-11-9-20(10-12-21)8-7-16-3-5-17(6-4-16)22(24)25/h3-6,13H,7-12H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 357.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55848991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).