[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride

C₁₁H₁₆ClN₃O₄ — CID 119489082

About [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride

[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride (PubChem CID 119489082) has the molecular formula C₁₁H₁₆ClN₃O₄ and a molecular weight of 289.72 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
• PubChem CID: 119489082
• Molecular Formula: C₁₁H₁₆ClN₃O₄
• Molecular Weight: 289.72 g/mol
• Exact Mass: 289.08
• IUPAC Name: [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
• SMILES: CNC1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1.Cl
• InChI: InChI=1S/C11H15N3O4.ClH/c1-12-8-3-2-6-13(7-8)11(15)9-4-5-10(18-9)14(16)17;/h4-5,8,12H,2-3,6-7H2,1H3;1H
• InChIKey: FCMCWMVGLUEFNV-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 88.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.72
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?

The IUPAC name of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride (CID 119489082) is [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride.

What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?

The canonical SMILES for [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride is CNC1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1.Cl.

What is the InChIKey of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?

The InChIKey is FCMCWMVGLUEFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4.ClH/c1-12-8-3-2-6-13(7-8)11(15)9-4-5-10(18-9)14(16)17;/h4-5,8,12H,2-3,6-7H2,1H3;1H.

What are the key properties of [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride?

[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride has a molecular weight of 289.72 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119489082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119489082 — identifiers, structure, computed properties (public domain)

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