N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide

C25H28N4O3S — CID 47015830

About N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide

N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide (PubChem CID 47015830) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
• PubChem CID: 47015830
• Molecular Formula: C25H28N4O3S
• Molecular Weight: 464.59 g/mol
• Exact Mass: 464.19
• IUPAC Name: N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
• SMILES: CC(Cc1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1)c1ccccc1
• InChI: InChI=1S/C25H28N4O3S/c1-18(19-8-4-2-5-9-19)16-22-27-28-25(32-22)33-17-23(30)29-14-12-20(13-15-29)24(31)26-21-10-6-3-7-11-21/h2-11,18,20H,12-17H2,1H3,(H,26,31)
• InChIKey: JUKUPOQAPGKWPV-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?

The IUPAC name of N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide (CID 47015830) is N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide.

What is the SMILES notation for N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?

The canonical SMILES for N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide is CC(Cc1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1)c1ccccc1.

What is the InChIKey of N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?

The InChIKey is JUKUPOQAPGKWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18(19-8-4-2-5-9-19)16-22-27-28-25(32-22)33-17-23(30)29-14-12-20(13-15-29)24(31)26-21-10-6-3-7-11-21/h2-11,18,20H,12-17H2,1H3,(H,26,31).

What are the key properties of N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide?

N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 47015830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).