tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C52H82N12O9SSi — CID 161106628

About tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 161106628) has the molecular formula C52H82N12O9SSi and a molecular weight of 1079.46 g/mol. Its IUPAC name is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 161106628
• Molecular Formula: C52H82N12O9SSi
• Molecular Weight: 1079.46 g/mol
• Exact Mass: 1078.58
• IUPAC Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1.CS(=O)(=O)N1CCCC(NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1
• InChI: InChI=1S/C26H41N5O4Si.C16H21N5O3S.C10H20N2O2/c1-26(2,3)35-25(33)30-11-7-8-19(15-30)28-24(32)20-16-31(17-34-12-13-36(4,5)6)23-22(20)29-21(14-27-23)18-9-10-18;1-25(23,24)21-6-2-3-11(9-21)19-16(22)12-7-17-15-14(12)20-13(8-18-15)10-4-5-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h14,16,18-19H,7-13,15,17H2,1-6H3,(H,28,32);7-8,10-11H,2-6,9H2,1H3,(H,17,18)(H,19,22);8H,4-7,11H2,1-3H3
• InChIKey: UJDDBXHVHJMWHM-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 262.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1079.46
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 161106628) is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)OC(=O)N1CCCC(N)C1.CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1.CS(=O)(=O)N1CCCC(NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1.

What is the InChIKey of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is UJDDBXHVHJMWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N5O4Si.C16H21N5O3S.C10H20N2O2/c1-26(2,3)35-25(33)30-11-7-8-19(15-30)28-24(32)20-16-31(17-34-12-13-36(4,5)6)23-22(20)29-21(14-27-23)18-9-10-18;1-25(23,24)21-6-2-3-11(9-21)19-16(22)12-7-17-15-14(12)20-13(8-18-15)10-4-5-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h14,16,18-19H,7-13,15,17H2,1-6H3,(H,28,32);7-8,10-11H,2-6,9H2,1H3,(H,17,18)(H,19,22);8H,4-7,11H2,1-3H3.

What are the key properties of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1079.46 g/mol, XLogP of 7.08, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 161106628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).