N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

C22H23FN4O2 — CID 95104334

About N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 95104334) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
• PubChem CID: 95104334
• Molecular Formula: C22H23FN4O2
• Molecular Weight: 394.45 g/mol
• Exact Mass: 394.18
• IUPAC Name: N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
• SMILES: O=C(CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccccc1
• InChI: InChI=1S/C22H23FN4O2/c23-18-10-6-9-17(13-18)21-25-22(29-26-21)19-11-4-5-12-27(19)15-20(28)24-14-16-7-2-1-3-8-16/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,24,28)/t19-/m1/s1
• InChIKey: IHWKGGOMVMMQFP-LJQANCHMSA-N
• XLogP: 3.72
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.45
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?

The IUPAC name of N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 95104334) is N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

What is the SMILES notation for N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?

The canonical SMILES for N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is O=C(CN1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1)NCc1ccccc1.

What is the InChIKey of N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?

The InChIKey is IHWKGGOMVMMQFP-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-10-6-9-17(13-18)21-25-22(29-26-21)19-11-4-5-12-27(19)15-20(28)24-14-16-7-2-1-3-8-16/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,24,28)/t19-/m1/s1.

What are the key properties of N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?

N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 95104334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).