furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone

C20H17N3O6 — CID 4787966

IUPACfuran-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C20H17N3O6/c24-19(17-2-1-13-28-17)21-9-11-22(12-10-21)20(25)18-8-7-16(29-18)14-3-5-15(6-4-14)23(26)27/h1-8,13H,9-12H2
InChIKeySYJBBDXPDJOGGO-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.05
Rot. Bonds4

About furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone

furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 4787966) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone
PubChem CID4787966
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Namefuran-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C20H17N3O6/c24-19(17-2-1-13-28-17)21-9-11-22(12-10-21)20(25)18-8-7-16(29-18)14-3-5-15(6-4-14)23(26)27/h1-8,13H,9-12H2
InChIKeySYJBBDXPDJOGGO-UHFFFAOYSA-N
XLogP3.05
TPSA110.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone (CID 4787966) is furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is SYJBBDXPDJOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6/c24-19(17-2-1-13-28-17)21-9-11-22(12-10-21)20(25)18-8-7-16(29-18)14-3-5-15(6-4-14)23(26)27/h1-8,13H,9-12H2.
What are the key properties of furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 395.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(4-nitrophenyl)furan-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 4787966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).