(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride

C18H24Cl2N4O2 — CID 120864845

About (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride

(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 120864845) has the molecular formula C18H24Cl2N4O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
• PubChem CID: 120864845
• Molecular Formula: C18H24Cl2N4O2
• Molecular Weight: 399.32 g/mol
• Exact Mass: 398.13
• IUPAC Name: (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
• SMILES: CNC(C)Cc1noc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1.Cl
• InChI: InChI=1S/C18H23ClN4O2.ClH/c1-12(20-2)10-16-21-17(25-22-16)14-4-3-9-23(11-14)18(24)13-5-7-15(19)8-6-13;/h5-8,12,14,20H,3-4,9-11H2,1-2H3;1H
• InChIKey: JAKJUPAYPOQGIU-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 71.26 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	399.32
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride (CID 120864845) is (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride.

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

The canonical SMILES for (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride is CNC(C)Cc1noc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1.Cl.

What is the InChIKey of (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride?

The InChIKey is JAKJUPAYPOQGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2.ClH/c1-12(20-2)10-16-21-17(25-22-16)14-4-3-9-23(11-14)18(24)13-5-7-15(19)8-6-13;/h5-8,12,14,20H,3-4,9-11H2,1-2H3;1H.

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

(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120864845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).