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

C13H23ClN4O2 — CID 119112368

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

(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119112368) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

• Compound Name: (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
• PubChem CID: 119112368
• Molecular Formula: C13H23ClN4O2
• Molecular Weight: 302.81 g/mol
• Exact Mass: 302.15
• IUPAC Name: (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
• SMILES: Cc1noc(C2CCCN(C(=O)[C@@H](N)C(C)C)C2)n1.Cl
• InChI: InChI=1S/C13H22N4O2.ClH/c1-8(2)11(14)13(18)17-6-4-5-10(7-17)12-15-9(3)16-19-12;/h8,10-11H,4-7,14H2,1-3H3;1H/t10?,11-;/m0./s1
• InChIKey: NROAKHMZWRUQBY-GQNCZFCYSA-N
• XLogP: 1.49
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.81
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119112368) is (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride.

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

The canonical SMILES for (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride is Cc1noc(C2CCCN(C(=O)[C@@H](N)C(C)C)C2)n1.Cl.

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

The InChIKey is NROAKHMZWRUQBY-GQNCZFCYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-8(2)11(14)13(18)17-6-4-5-10(7-17)12-15-9(3)16-19-12;/h8,10-11H,4-7,14H2,1-3H3;1H/t10?,11-;/m0./s1.

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

(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119112368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).