3-(4-methoxy-4-phenylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide

• ChemBase ID: 471269
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: C(=O)(N1CC(C(=O)N2CCC(CC2)(c2ccccc2)OC)CCC1)N(C)C
• Canonical SMILES: COC1(CCN(CC1)C(=O)C1CCCN(C1)C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C21H31N3O3/c1-22(2)20(26)24-13-7-8-17(16-24)19(25)23-14-11-21(27-3,12-15-23)18-9-5-4-6-10-18/h4-6,9-10,17H,7-8,11-16H2,1-3H3
• InChIKey: RJWXOIQYCWAJHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxy-4-phenylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
• IUPAC Traditional name: 3-(4-methoxy-4-phenylpiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
• Synonyms: 3-[(4-methoxy-4-phenyl-1-piperidinyl)carbonyl]-N,N-dimethyl-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 1.0097252
• LogD (pH = 7.4): 1.0097259
• Log P: 1.0097259
• Molar Refractivity: 105.5506 cm^3
• Polarizability: 40.73919 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 2.24
• LOG S: -3.84
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0