4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide

C26H38N4O4 — CID 58354807

About 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide

4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide (PubChem CID 58354807) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
• PubChem CID: 58354807
• Molecular Formula: C26H38N4O4
• Molecular Weight: 470.61 g/mol
• Exact Mass: 470.29
• IUPAC Name: 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
• SMILES: Cc1cc(OCCCC2CCN(c3noc(C4CC4(C)C)n3)CC2)ccc1C(=O)N[C@H](C)CO
• InChI: InChI=1S/C26H38N4O4/c1-17-14-20(7-8-21(17)23(32)27-18(2)16-31)33-13-5-6-19-9-11-30(12-10-19)25-28-24(34-29-25)22-15-26(22,3)4/h7-8,14,18-19,22,31H,5-6,9-13,15-16H2,1-4H3,(H,27,32)/t18-,22?/m1/s1
• InChIKey: NAOGRLGDYDTZPN-ZZWBGTBQSA-N
• XLogP: 4.08
• TPSA: 100.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.61
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

The IUPAC name of 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide (CID 58354807) is 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide.

What is the SMILES notation for 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

The canonical SMILES for 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide is Cc1cc(OCCCC2CCN(c3noc(C4CC4(C)C)n3)CC2)ccc1C(=O)N[C@H](C)CO.

What is the InChIKey of 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

The InChIKey is NAOGRLGDYDTZPN-ZZWBGTBQSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-17-14-20(7-8-21(17)23(32)27-18(2)16-31)33-13-5-6-19-9-11-30(12-10-19)25-28-24(34-29-25)22-15-26(22,3)4/h7-8,14,18-19,22,31H,5-6,9-13,15-16H2,1-4H3,(H,27,32)/t18-,22?/m1/s1.

What are the key properties of 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?

4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide has a molecular weight of 470.61 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 58354807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).