(5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone

C15H15N3O4 — CID 3311383

IUPAC(5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15N3O4/c19-15(13-6-7-14(22-13)18(20)21)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyPIUUVPLUDASZJD-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.15
Rot. Bonds3

About (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3311383) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID3311383
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H15N3O4/c19-15(13-6-7-14(22-13)18(20)21)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyPIUUVPLUDASZJD-UHFFFAOYSA-N
XLogP2.15
TPSA79.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.15
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'}

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Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 3311383) is (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PIUUVPLUDASZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-15(13-6-7-14(22-13)18(20)21)17-10-8-16(9-11-17)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 301.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3311383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).