(1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C30H46N6O3 — CID 155066792

About (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 155066792) has the molecular formula C30H46N6O3 and a molecular weight of 538.74 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
• PubChem CID: 155066792
• Molecular Formula: C30H46N6O3
• Molecular Weight: 538.74 g/mol
• Exact Mass: 538.36
• IUPAC Name: (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
• SMILES: Cn1ccc(C2CC(c3nc(C4CCN(C(=O)OC5(C)CC5)CC4)no3)C3(CCCCCCCCC3)CN2)n1
• InChI: InChI=1S/C30H46N6O3/c1-29(15-16-29)38-28(37)36-18-10-22(11-19-36)26-32-27(39-34-26)23-20-25(24-12-17-35(2)33-24)31-21-30(23)13-8-6-4-3-5-7-9-14-30/h12,17,22-23,25,31H,3-11,13-16,18-21H2,1-2H3
• InChIKey: UYSQVAOOCFZAJA-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.74
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?

The IUPAC name of (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 155066792) is (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

What is the SMILES notation for (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?

The canonical SMILES for (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is Cn1ccc(C2CC(c3nc(C4CCN(C(=O)OC5(C)CC5)CC4)no3)C3(CCCCCCCCC3)CN2)n1.

What is the InChIKey of (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?

The InChIKey is UYSQVAOOCFZAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N6O3/c1-29(15-16-29)38-28(37)36-18-10-22(11-19-36)26-32-27(39-34-26)23-20-25(24-12-17-35(2)33-24)31-21-30(23)13-8-6-4-3-5-7-9-14-30/h12,17,22-23,25,31H,3-11,13-16,18-21H2,1-2H3.

What are the key properties of (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?

(1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 538.74 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155066792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).