3-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]piperidine-1-carboxamide

• ChemBase ID: 656312
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: C(=O)(C1CN(C(=O)N)CCC1)N1CCC(CC1)Oc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)C1CCCN(C1)C(=O)N
• InChI: InChI=1S/C19H27N3O4/c1-25-15-4-6-16(7-5-15)26-17-8-11-21(12-9-17)18(23)14-3-2-10-22(13-14)19(20)24/h4-7,14,17H,2-3,8-13H2,1H3,(H2,20,24)
• InChIKey: SBVLREANKKNXPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.803387
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.44748518
• LogD (pH = 7.4): 0.44748583
• Log P: 0.44748583
• Molar Refractivity: 97.2269 cm^3
• Polarizability: 37.750103 Å^3
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.69
• LOG S: -2.42
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 4