3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

C12H23Cl2N5O2 — CID 119882488

About 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride

3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119882488) has the molecular formula C12H23Cl2N5O2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
• PubChem CID: 119882488
• Molecular Formula: C12H23Cl2N5O2
• Molecular Weight: 340.26 g/mol
• Exact Mass: 339.12
• IUPAC Name: 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
• SMILES: CCc1nc(CN2CCN(C(=O)CCN)CC2)no1.Cl.Cl
• InChI: InChI=1S/C12H21N5O2.2ClH/c1-2-11-14-10(15-19-11)9-16-5-7-17(8-6-16)12(18)3-4-13;;/h2-9,13H2,1H3;2*1H
• InChIKey: ZHLBUXDPIBQOFD-UHFFFAOYSA-N
• XLogP: 0.47
• TPSA: 88.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.26
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride (CID 119882488) is 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride.

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

The canonical SMILES for 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is CCc1nc(CN2CCN(C(=O)CCN)CC2)no1.Cl.Cl.

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

The InChIKey is ZHLBUXDPIBQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2.2ClH/c1-2-11-14-10(15-19-11)9-16-5-7-17(8-6-16)12(18)3-4-13;;/h2-9,13H2,1H3;2*1H.

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

3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 340.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119882488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).