ethyl 1-(4-aminobenzoyl)piperidine-4-carboxylate

• ChemBase ID: 277963
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: C(=O)(N1CCC(C(=O)OCC)CC1)c1ccc(N)cc1
• Canonical SMILES: CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N
• InChI: InChI=1S/C15H20N2O3/c1-2-20-15(19)12-7-9-17(10-8-12)14(18)11-3-5-13(16)6-4-11/h3-6,12H,2,7-10,16H2,1H3
• InChIKey: NDSBPCSUNHWJOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(4-aminobenzoyl)piperidine-4-carboxylate
• IUPAC Traditional name: ethyl 1-(4-aminobenzoyl)piperidine-4-carboxylate
• Synonyms: ethyl 1-[(4-aminophenyl)carbonyl]piperidine-4-carboxylate

Database IDs

• MDL Number: MFCD12636389
• PubChem SID: 164333873
• PubChem CID: 28940950

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0148271
• LogD (pH = 7.4): 1.0180832
• Log P: 1.0181249
• Molar Refractivity: 77.5298 cm^3
• Polarizability: 29.085068 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.471

Product Information

• Purity: 95%