3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride

C17H25Cl2N5O2 — CID 120503538

About 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride

3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride (PubChem CID 120503538) has the molecular formula C17H25Cl2N5O2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
• PubChem CID: 120503538
• Molecular Formula: C17H25Cl2N5O2
• Molecular Weight: 402.33 g/mol
• Exact Mass: 401.14
• IUPAC Name: 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride
• SMILES: CC(N)C(C)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1.Cl.Cl
• InChI: InChI=1S/C17H23N5O2.2ClH/c1-11(12(2)18)17(23)22-9-6-13(7-10-22)16-20-15(21-24-16)14-5-3-4-8-19-14;;/h3-5,8,11-13H,6-7,9-10,18H2,1-2H3;2*1H
• InChIKey: IIZUDMXLWREATG-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 98.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.33
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

The IUPAC name of 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride (CID 120503538) is 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride.

What is the SMILES notation for 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

The canonical SMILES for 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride is CC(N)C(C)C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1.Cl.Cl.

What is the InChIKey of 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

The InChIKey is IIZUDMXLWREATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.2ClH/c1-11(12(2)18)17(23)22-9-6-13(7-10-22)16-20-15(21-24-16)14-5-3-4-8-19-14;;/h3-5,8,11-13H,6-7,9-10,18H2,1-2H3;2*1H.

What are the key properties of 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride?

3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride has a molecular weight of 402.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-methyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;dihydrochloride is sourced from PubChem (CID 120503538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).