N-[3-(benzyloxy)phenyl]-2-(carbamoylmethyl)piperidine-1-carboxamide

• ChemBase ID: 579756
• Molecular Formular: C21H25N3O3
• Molecular Mass: 367.4415
• Monoisotopic Mass: 367.18959168
• SMILES: C(=O)(N1C(CC(=O)N)CCCC1)Nc1cc(OCc2ccccc2)ccc1
• Canonical SMILES: NC(=O)CC1CCCCN1C(=O)Nc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C21H25N3O3/c22-20(25)14-18-10-4-5-12-24(18)21(26)23-17-9-6-11-19(13-17)27-15-16-7-2-1-3-8-16/h1-3,6-9,11,13,18H,4-5,10,12,14-15H2,(H2,22,25)(H,23,26)
• InChIKey: YDQOJLKGODRCBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(benzyloxy)phenyl]-2-(carbamoylmethyl)piperidine-1-carboxamide
• IUPAC Traditional name: N-[3-(benzyloxy)phenyl]-2-(carbamoylmethyl)piperidine-1-carboxamide
• Synonyms: 2-(2-amino-2-oxoethyl)-N-[3-(benzyloxy)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.977629
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7097511
• LogD (pH = 7.4): 2.7097502
• Log P: 2.7097514
• Molar Refractivity: 104.8853 cm^3
• Polarizability: 39.980095 Å^3
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.43
• LOG S: -3.95
• Polar Surface Area: 84.66 Å^2
• Rotatable Bonds: 6