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

C25H35ClN4O3 — CID 3353800

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

N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide (PubChem CID 3353800) has the molecular formula C25H35ClN4O3 and a molecular weight of 475.03 g/mol. Its IUPAC name is N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide.

Molecular Properties

• Compound Name: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide
• PubChem CID: 3353800
• Molecular Formula: C25H35ClN4O3
• Molecular Weight: 475.03 g/mol
• Exact Mass: 474.24
• IUPAC Name: N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide
• SMILES: CCCCCC(=O)N(CCCC)CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1
• InChI: InChI=1S/C25H35ClN4O3/c1-3-5-7-14-22(31)29(15-6-4-2)18-23(32)30-16-9-8-13-21(30)25-27-24(28-33-25)19-11-10-12-20(26)17-19/h10-12,17,21H,3-9,13-16,18H2,1-2H3
• InChIKey: VTSMSCRRRWXQOG-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.03
LogP ≤ 5	5.65
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-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide?

The IUPAC name of N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide (CID 3353800) is N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide.

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

The canonical SMILES for N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide is CCCCCC(=O)N(CCCC)CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1.

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

The InChIKey is VTSMSCRRRWXQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O3/c1-3-5-7-14-22(31)29(15-6-4-2)18-23(32)30-16-9-8-13-21(30)25-27-24(28-33-25)19-11-10-12-20(26)17-19/h10-12,17,21H,3-9,13-16,18H2,1-2H3.

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

N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide has a molecular weight of 475.03 g/mol, XLogP of 5.65, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide is sourced from PubChem (CID 3353800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).