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

C20H29ClN4O2 — CID 119489292

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

1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride (PubChem CID 119489292) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
• PubChem CID: 119489292
• Molecular Formula: C20H29ClN4O2
• Molecular Weight: 392.93 g/mol
• Exact Mass: 392.20
• IUPAC Name: 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
• SMILES: CNC1CCCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C1.Cl
• InChI: InChI=1S/C20H28N4O2.ClH/c1-14(2)15-6-8-16(9-7-15)20-22-18(26-23-20)10-11-19(25)24-12-4-5-17(13-24)21-3;/h6-9,14,17,21H,4-5,10-13H2,1-3H3;1H
• InChIKey: PEGDRDZRCIFOKG-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.93
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride (CID 119489292) is 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride.

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

The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride is CNC1CCCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)C1.Cl.

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

The InChIKey is PEGDRDZRCIFOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-14(2)15-6-8-16(9-7-15)20-22-18(26-23-20)10-11-19(25)24-12-4-5-17(13-24)21-3;/h6-9,14,17,21H,4-5,10-13H2,1-3H3;1H.

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

1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(methylamino)piperidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119489292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).