3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C15H21ClN4O3 — CID 119488103

About 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119488103) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
• PubChem CID: 119488103
• Molecular Formula: C15H21ClN4O3
• Molecular Weight: 340.81 g/mol
• Exact Mass: 340.13
• IUPAC Name: 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
• SMILES: CNC1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1.Cl
• InChI: InChI=1S/C15H20N4O3.ClH/c1-16-12-3-2-7-19(9-12)14(20)5-4-13-17-15(18-22-13)11-6-8-21-10-11;/h6,8,10,12,16H,2-5,7,9H2,1H3;1H
• InChIKey: IJPLMSFDHHUWRB-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 84.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.81
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?

The IUPAC name of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119488103) is 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

What is the SMILES notation for 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?

The canonical SMILES for 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1.Cl.

What is the InChIKey of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?

The InChIKey is IJPLMSFDHHUWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-16-12-3-2-7-19(9-12)14(20)5-4-13-17-15(18-22-13)11-6-8-21-10-11;/h6,8,10,12,16H,2-5,7,9H2,1H3;1H.

What are the key properties of 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?

3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119488103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).