1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

C23H24N6O3 — CID 90642251

About 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one

1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90642251) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
• PubChem CID: 90642251
• Molecular Formula: C23H24N6O3
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.19
• IUPAC Name: 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
• SMILES: O=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C23H24N6O3/c30-21-12-17(15-29(21)18-6-2-1-3-7-18)23(31)28-10-4-5-16(14-28)11-20-26-22(27-32-20)19-13-24-8-9-25-19/h1-3,6-9,13,16-17H,4-5,10-12,14-15H2
• InChIKey: FSTAYVVCGMNYFA-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 105.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?

The IUPAC name of 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 90642251) is 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?

The canonical SMILES for 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?

The InChIKey is FSTAYVVCGMNYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-21-12-17(15-29(21)18-6-2-1-3-7-18)23(31)28-10-4-5-16(14-28)11-20-26-22(27-32-20)19-13-24-8-9-25-19/h1-3,6-9,13,16-17H,4-5,10-12,14-15H2.

What are the key properties of 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one?

1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 432.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-4-[3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90642251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).