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

C26H38N4O5 — CID 58354915

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

N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide (PubChem CID 58354915) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
• PubChem CID: 58354915
• Molecular Formula: C26H38N4O5
• Molecular Weight: 486.61 g/mol
• Exact Mass: 486.28
• IUPAC Name: N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
• SMILES: Cc1cc(OCCCC2CCN(c3noc(C4CC4(C)C)n3)CC2)ccc1C(=O)NC[C@H](O)CO
• InChI: InChI=1S/C26H38N4O5/c1-17-13-20(6-7-21(17)23(33)27-15-19(32)16-31)34-12-4-5-18-8-10-30(11-9-18)25-28-24(35-29-25)22-14-26(22,2)3/h6-7,13,18-19,22,31-32H,4-5,8-12,14-16H2,1-3H3,(H,27,33)/t19-,22?/m0/s1
• InChIKey: KACCUFMRZFDDPF-YDNXMHBPSA-N
• XLogP: 3.05
• TPSA: 120.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.61
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide (CID 58354915) is N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide.

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

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

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

The InChIKey is KACCUFMRZFDDPF-YDNXMHBPSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-17-13-20(6-7-21(17)23(33)27-15-19(32)16-31)34-12-4-5-18-8-10-30(11-9-18)25-28-24(35-29-25)22-14-26(22,2)3/h6-7,13,18-19,22,31-32H,4-5,8-12,14-16H2,1-3H3,(H,27,33)/t19-,22?/m0/s1.

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

N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide has a molecular weight of 486.61 g/mol, XLogP of 3.05, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2,3-dihydroxypropyl]-4-[3-[1-[5-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide is sourced from PubChem (CID 58354915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).