1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

C24H34ClN5O2 — CID 43933910

About 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 43933910) has the molecular formula C24H34ClN5O2 and a molecular weight of 460.02 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
• PubChem CID: 43933910
• Molecular Formula: C24H34ClN5O2
• Molecular Weight: 460.02 g/mol
• Exact Mass: 459.24
• IUPAC Name: 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
• SMILES: CC1CCN(CCCNC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)CC1
• InChI: InChI=1S/C24H34ClN5O2/c1-18-9-14-29(15-10-18)13-5-11-26-24(31)19-6-4-12-30(16-19)17-22-27-23(28-32-22)20-7-2-3-8-21(20)25/h2-3,7-8,18-19H,4-6,9-17H2,1H3,(H,26,31)
• InChIKey: ULUARDPLBVZZBL-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.02
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide (CID 43933910) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is CC1CCN(CCCNC(=O)C2CCCN(Cc3nc(-c4ccccc4Cl)no3)C2)CC1.

What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

The InChIKey is ULUARDPLBVZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O2/c1-18-9-14-29(15-10-18)13-5-11-26-24(31)19-6-4-12-30(16-19)17-22-27-23(28-32-22)20-7-2-3-8-21(20)25/h2-3,7-8,18-19H,4-6,9-17H2,1H3,(H,26,31).

What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide?

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 460.02 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 43933910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).