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

C15H27ClN4O2 — CID 119775634

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

(2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119775634) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

• Compound Name: (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
• PubChem CID: 119775634
• Molecular Formula: C15H27ClN4O2
• Molecular Weight: 330.86 g/mol
• Exact Mass: 330.18
• IUPAC Name: (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride
• SMILES: Cc1nc(CC2CCCN(C(=O)[C@@H](N)C(C)(C)C)C2)no1.Cl
• InChI: InChI=1S/C15H26N4O2.ClH/c1-10-17-12(18-21-10)8-11-6-5-7-19(9-11)14(20)13(16)15(2,3)4;/h11,13H,5-9,16H2,1-4H3;1H/t11?,13-;/m1./s1
• InChIKey: CHNGFOFCWKNTLF-ASSPZCQQSA-N
• XLogP: 1.95
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.86
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride (CID 119775634) is (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride.

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

The canonical SMILES for (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride is Cc1nc(CC2CCCN(C(=O)[C@@H](N)C(C)(C)C)C2)no1.Cl.

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

The InChIKey is CHNGFOFCWKNTLF-ASSPZCQQSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-10-17-12(18-21-10)8-11-6-5-7-19(9-11)14(20)13(16)15(2,3)4;/h11,13H,5-9,16H2,1-4H3;1H/t11?,13-;/m1./s1.

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

(2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3,3-dimethyl-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119775634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).