N,N-dimethyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]piperidine-1-carboxamide

• ChemBase ID: 550297
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: C(=O)(N1CC(C(=O)N2CCC(Oc3cc(ccc3)C)CC2)CCC1)N(C)C
• Canonical SMILES: Cc1cccc(c1)OC1CCN(CC1)C(=O)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C21H31N3O3/c1-16-6-4-8-19(14-16)27-18-9-12-23(13-10-18)20(25)17-7-5-11-24(15-17)21(26)22(2)3/h4,6,8,14,17-18H,5,7,9-13,15H2,1-3H3
• InChIKey: DKTYYSMJCHMOAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
• IUPAC Traditional name: N,N-dimethyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
• Synonyms: N,N-dimethyl-3-{[4-(3-methylphenoxy)-1-piperidinyl]carbonyl}-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5659299
• LogD (pH = 7.4): 1.5659306
• Log P: 1.5659306
• Molar Refractivity: 105.5983 cm^3
• Polarizability: 40.65336 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.39
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 3