naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C23H21N5O2 — CID 90642217

About naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90642217) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• PubChem CID: 90642217
• Molecular Formula: C23H21N5O2
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.17
• IUPAC Name: naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
• SMILES: O=C(c1cccc2ccccc12)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C23H21N5O2/c29-23(19-9-3-7-17-6-1-2-8-18(17)19)28-12-4-5-16(15-28)13-21-26-22(27-30-21)20-14-24-10-11-25-20/h1-3,6-11,14,16H,4-5,12-13,15H2
• InChIKey: XYUUOBOEYSBFHZ-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 85.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The IUPAC name of naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 90642217) is naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

What is the SMILES notation for naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The canonical SMILES for naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is O=C(c1cccc2ccccc12)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

The InChIKey is XYUUOBOEYSBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c29-23(19-9-3-7-17-6-1-2-8-18(17)19)28-12-4-5-16(15-28)13-21-26-22(27-30-21)20-14-24-10-11-25-20/h1-3,6-11,14,16H,4-5,12-13,15H2.

What are the key properties of naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?

naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 399.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-1-yl-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90642217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).