benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

• ChemBase ID: 113065
• Molecular Formular: C16H22N2O4
• Molecular Mass: 306.35688
• Monoisotopic Mass: 306.15795719
• SMILES: C(=O)(N1CCC(C(=O)N(OC)C)CC1)OCc1ccccc1
• Canonical SMILES: CON(C(=O)C1CCN(CC1)C(=O)OCc1ccccc1)C
• InChI: InChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
• InChIKey: XVSOLNIURSFPEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• IUPAC Traditional name: benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• Synonyms: benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

Database IDs

• CAS Number: 148148-48-5
• PubChem SID: 162097595
• PubChem CID: 22574154

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6254512
• LogD (pH = 7.4): 1.6254512
• Log P: 1.6254512
• Molar Refractivity: 81.8432 cm^3
• Polarizability: 31.84245 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Product Information

• Purity: >95%; 98%