1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone

C18H27N7O2 — CID 126429636

About 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone (PubChem CID 126429636) has the molecular formula C18H27N7O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
• PubChem CID: 126429636
• Molecular Formula: C18H27N7O2
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.22
• IUPAC Name: 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone
• SMILES: Cc1nc(CN2CCN(C(=O)Cn3nccc3[C@@H]3CCCNC3)CC2)no1
• InChI: InChI=1S/C18H27N7O2/c1-14-21-17(22-27-14)12-23-7-9-24(10-8-23)18(26)13-25-16(4-6-20-25)15-3-2-5-19-11-15/h4,6,15,19H,2-3,5,7-13H2,1H3/t15-/m1/s1
• InChIKey: KICWVPJMMXYPOW-OAHLLOKOSA-N
• XLogP: 0.39
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?

The IUPAC name of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone (CID 126429636) is 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone.

What is the SMILES notation for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?

The canonical SMILES for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone is Cc1nc(CN2CCN(C(=O)Cn3nccc3[C@@H]3CCCNC3)CC2)no1.

What is the InChIKey of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?

The InChIKey is KICWVPJMMXYPOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N7O2/c1-14-21-17(22-27-14)12-23-7-9-24(10-8-23)18(26)13-25-16(4-6-20-25)15-3-2-5-19-11-15/h4,6,15,19H,2-3,5,7-13H2,1H3/t15-/m1/s1.

What are the key properties of 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone?

1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 126429636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).