1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

C₁₈H₂₉N₃O₃ — CID 167934848

About 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone

1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 167934848) has the molecular formula C₁₈H₂₉N₃O₃ and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 167934848
• Molecular Formula: C₁₈H₂₉N₃O₃
• Molecular Weight: 335.45 g/mol
• Exact Mass: 335.22
• IUPAC Name: 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC[C@H](c2nnc(COC3CCC(C)CC3)o2)[C@@H]1C
• InChI: InChI=1S/C18H29N3O3/c1-12-6-8-15(9-7-12)23-11-17-19-20-18(24-17)16-5-4-10-21(13(16)2)14(3)22/h12-13,15-16H,4-11H2,1-3H3/t12?,13-,15?,16-/m0/s1
• InChIKey: BVADJPNHUKBGDZ-FQSHHYAASA-N
• XLogP: 3.28
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone (CID 167934848) is 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@H](c2nnc(COC3CCC(C)CC3)o2)[C@@H]1C.

What is the InChIKey of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is BVADJPNHUKBGDZ-FQSHHYAASA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12-6-8-15(9-7-12)23-11-17-19-20-18(24-17)16-5-4-10-21(13(16)2)14(3)22/h12-13,15-16H,4-11H2,1-3H3/t12?,13-,15?,16-/m0/s1.

What are the key properties of 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone?

1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 335.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S,3S)-2-methyl-3-[5-[(4-methylcyclohexyl)oxymethyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167934848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167934848 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.