3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

C16H28ClN5O2 — CID 120981550

About 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981550) has the molecular formula C16H28ClN5O2 and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
• PubChem CID: 120981550
• Molecular Formula: C16H28ClN5O2
• Molecular Weight: 357.89 g/mol
• Exact Mass: 357.19
• IUPAC Name: 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
• SMILES: Cc1nc(CC2CCCN(CCC(=O)N3CCNCC3)C2)no1.Cl
• InChI: InChI=1S/C16H27N5O2.ClH/c1-13-18-15(19-23-13)11-14-3-2-7-20(12-14)8-4-16(22)21-9-5-17-6-10-21;/h14,17H,2-12H2,1H3;1H
• InChIKey: BZOFLMBVRUUWJF-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.89
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981550) is 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.

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

The canonical SMILES for 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is Cc1nc(CC2CCCN(CCC(=O)N3CCNCC3)C2)no1.Cl.

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

The InChIKey is BZOFLMBVRUUWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2.ClH/c1-13-18-15(19-23-13)11-14-3-2-7-20(12-14)8-4-16(22)21-9-5-17-6-10-21;/h14,17H,2-12H2,1H3;1H.

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

3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).