1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride

C18H24ClFN4O2 — CID 119469217

About 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride (PubChem CID 119469217) has the molecular formula C18H24ClFN4O2 and a molecular weight of 382.87 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
• PubChem CID: 119469217
• Molecular Formula: C18H24ClFN4O2
• Molecular Weight: 382.87 g/mol
• Exact Mass: 382.16
• IUPAC Name: 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
• SMILES: Cc1cc(-c2noc(CCC(=O)N3CCCCC3CN)n2)ccc1F.Cl
• InChI: InChI=1S/C18H23FN4O2.ClH/c1-12-10-13(5-6-15(12)19)18-21-16(25-22-18)7-8-17(24)23-9-3-2-4-14(23)11-20;/h5-6,10,14H,2-4,7-9,11,20H2,1H3;1H
• InChIKey: JIVNTKUNDARVMM-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.87
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride (CID 119469217) is 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride.

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

The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride is Cc1cc(-c2noc(CCC(=O)N3CCCCC3CN)n2)ccc1F.Cl.

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

The InChIKey is JIVNTKUNDARVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2.ClH/c1-12-10-13(5-6-15(12)19)18-21-16(25-22-18)7-8-17(24)23-9-3-2-4-14(23)11-20;/h5-6,10,14H,2-4,7-9,11,20H2,1H3;1H.

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

1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(aminomethyl)piperidin-1-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119469217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).