Piperidin-4-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Base Information

• Chemical Name: Piperidin-4-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
• CAS No.: 799557-70-3
• Molecular Formula: C14H27 N3 O
• Molecular Weight: 253.388
• DSSTox Substance ID: DTXSID30468432
• Wikidata: Q82295623
• Mol file: 799557-70-3.mol

Synonyms:799557-70-3;SCHEMBL3856605;DTXSID30468432;VXNAHXQHJCMCIO-UHFFFAOYSA-N;AG-H-20408;1-Isopropyl-4-(piperidine-4-carbonyl)-[1,4]-diazepane

Chemical Property of Piperidin-4-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Chemical Property:

• PSA: 35.58000
• LogP: 1.13330
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.215412493
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99%min ^*data from raw suppliers

(4-ISOPROPYL-[1,4]DIAZEPAN-1-YL)-PIPERIDIN-4-YLMETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1CCCN(CC1)C(=O)C2CCNCC2

Technology Process of Piperidin-4-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

There total 1 articles about Piperidin-4-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-isopropyl-4-(1-tert-butoxycarbonyl-piperidine-4-carbonyl)-[1,4]diazepane → 1-isopropyl-4-(piperidine-4-carbonyl)-[1,4]diazepane (799557-70-3)

Guidance literature:

1-isopropyl-4-(1-tert-butoxycarbonyl-piperidine-4-carbonyl)-[1,4]diazepane; With hydrogenchloride; methanol; In 1,4-dioxane; at 20 ℃; for 16h;

With potassium carbonate; In water;

Reference yield:

1-isopropyl-4-(piperidine-4-carbonyl)-[1,4]diazepane (799557-70-3) + 4-Iodobenzotrifluoride (455-13-0) → 1-isopropyl-4-[1-(4-trifluoromethyl-phenyl)-piperidine-4-carbonyl]-[1,4]diazepane

Guidance literature:

With sodium t-butanolate; DavePhos; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In 1,4-dioxane; at 100 ℃; for 2h;

Reference yield:

1-isopropyl-4-(piperidine-4-carbonyl)-[1,4]diazepane (799557-70-3) + 1-(4-fluorophenyl)ethanone (403-42-9) → 1-isopropyl-4-[1-(4-acetylphenyl)-piperidine-4-carbonyl]-[1,4]diazepane

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 150 ℃; for 2h;

Refernces