1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one

C24H33N5O3 — CID 28922251

About 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one

1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one (PubChem CID 28922251) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
• PubChem CID: 28922251
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
• SMILES: Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
• InChI: InChI=1S/C24H33N5O3/c1-19-22(26-32-25-19)16-24(31)29-11-5-8-21(18-29)9-10-23(30)28-14-12-27(13-15-28)17-20-6-3-2-4-7-20/h2-4,6-7,21H,5,8-18H2,1H3/t21-/m0/s1
• InChIKey: GIDAEAIKELMOMZ-NRFANRHFSA-N
• XLogP: 2.28
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one?

The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one (CID 28922251) is 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one.

What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one?

The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one is Cc1nonc1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1.

What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one?

The InChIKey is GIDAEAIKELMOMZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-19-22(26-32-25-19)16-24(31)29-11-5-8-21(18-29)9-10-23(30)28-14-12-27(13-15-28)17-20-6-3-2-4-7-20/h2-4,6-7,21H,5,8-18H2,1H3/t21-/m0/s1.

What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one?

1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one has a molecular weight of 439.56 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 28922251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).