N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide

C26H37ClN4O3 — CID 4656396

About N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide (PubChem CID 4656396) has the molecular formula C26H37ClN4O3 and a molecular weight of 489.06 g/mol. Its IUPAC name is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide.

Molecular Properties

• Compound Name: N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide
• PubChem CID: 4656396
• Molecular Formula: C26H37ClN4O3
• Molecular Weight: 489.06 g/mol
• Exact Mass: 488.26
• IUPAC Name: N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide
• SMILES: CCCCCCCC(=O)N(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(C)C
• InChI: InChI=1S/C26H37ClN4O3/c1-4-5-6-7-8-15-23(32)31(19(2)3)18-24(33)30-16-10-9-14-22(30)26-28-25(29-34-26)20-12-11-13-21(27)17-20/h11-13,17,19,22H,4-10,14-16,18H2,1-3H3
• InChIKey: CFJXOVVRZAESHH-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.06
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide?

The IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide (CID 4656396) is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide.

What is the SMILES notation for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide?

The canonical SMILES for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide is CCCCCCCC(=O)N(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(C)C.

What is the InChIKey of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide?

The InChIKey is CFJXOVVRZAESHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37ClN4O3/c1-4-5-6-7-8-15-23(32)31(19(2)3)18-24(33)30-16-10-9-14-22(30)26-28-25(29-34-26)20-12-11-13-21(27)17-20/h11-13,17,19,22H,4-10,14-16,18H2,1-3H3.

What are the key properties of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide?

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide has a molecular weight of 489.06 g/mol, XLogP of 6.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-propan-2-yloctanamide is sourced from PubChem (CID 4656396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).