tert-butyl 4-[(cyclopropylcarbamoyl)methoxy]piperidine-1-carboxylate

• ChemBase ID: 296824
• Molecular Formular: C15H26N2O4
• Molecular Mass: 298.37794
• Monoisotopic Mass: 298.18925732
• SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OCC(=O)NC1CC1
• Canonical SMILES: O=C(NC1CC1)COC1CCN(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-8-6-12(7-9-17)20-10-13(18)16-11-4-5-11/h11-12H,4-10H2,1-3H3,(H,16,18)
• InChIKey: QRZXFGODTSPZFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(cyclopropylcarbamoyl)methoxy]piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(cyclopropylcarbamoyl)methoxy]piperidine-1-carboxylate
• Synonyms: 4-(Cyclopropylcarbamoylmethoxy)piperidine-1-carboxylic acid tert-butyl ester; 2-(1-Boc-4-piperidinyloxy)-N-cyclopropylacetamide; 2-(1-Boc-4-哌啶氧基)-N-环丙基乙酰胺

Database IDs

• MDL Number: MFCD17015026
• PubChem SID: 180682355
• PubChem CID: 73995130

CALCULATED PROPERTIES

• Acid pKa: 14.864707
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.41178197
• LogD (pH = 7.4): 0.41178197
• Log P: 0.41178197
• Molar Refractivity: 78.1787 cm^3
• Polarizability: 30.757196 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85-87°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 96%