3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide

C20H28N4O2 — CID 95099450

About 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide

3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (PubChem CID 95099450) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
• PubChem CID: 95099450
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
• SMILES: CC(C)CC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1
• InChI: InChI=1S/C20H28N4O2/c1-15(2)13-18(25)21-17(14-16-9-5-3-6-10-16)19-22-23-20(26-19)24-11-7-4-8-12-24/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,21,25)/t17-/m0/s1
• InChIKey: QCFPYDZYBCOBHN-KRWDZBQOSA-N
• XLogP: 3.51
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?

The IUPAC name of 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (CID 95099450) is 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.

What is the SMILES notation for 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?

The canonical SMILES for 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is CC(C)CC(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1.

What is the InChIKey of 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?

The InChIKey is QCFPYDZYBCOBHN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)13-18(25)21-17(14-16-9-5-3-6-10-16)19-22-23-20(26-19)24-11-7-4-8-12-24/h3,5-6,9-10,15,17H,4,7-8,11-14H2,1-2H3,(H,21,25)/t17-/m0/s1.

What are the key properties of 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?

3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 95099450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).