1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine

C15H17N3O3 — CID 791226

IUPAC1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine
SMILESO=[N+]([O-])c1ccc(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C15H17N3O3/c19-18(20)15-7-6-14(21-15)12-16-8-10-17(11-9-16)13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyRMOBFPPQLYXBGZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.51
Rot. Bonds4

About 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine

1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine (PubChem CID 791226) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine
PubChem CID791226
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine
SMILESO=[N+]([O-])c1ccc(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C15H17N3O3/c19-18(20)15-7-6-14(21-15)12-16-8-10-17(11-9-16)13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyRMOBFPPQLYXBGZ-UHFFFAOYSA-N
XLogP2.51
TPSA62.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.51
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 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine 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 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine (CID 791226) is 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine is O=[N+]([O-])c1ccc(CN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine?
The InChIKey is RMOBFPPQLYXBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-18(20)15-7-6-14(21-15)12-16-8-10-17(11-9-16)13-4-2-1-3-5-13/h1-7H,8-12H2.
What are the key properties of 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine?
1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine has a molecular weight of 287.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-nitrofuran-2-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 791226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).