4-ethoxy-1-[4-(piperidin-3-yl)benzoyl]piperidine

• ChemBase ID: 862144
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C(=O)(N1CCC(CC1)OCC)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: CCOC1CCN(CC1)C(=O)c1ccc(cc1)C1CCCNC1
• InChI: InChI=1S/C19H28N2O2/c1-2-23-18-9-12-21(13-10-18)19(22)16-7-5-15(6-8-16)17-4-3-11-20-14-17/h5-8,17-18,20H,2-4,9-14H2,1H3
• InChIKey: NFAQHMYOQGUWQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethoxy-1-[4-(piperidin-3-yl)benzoyl]piperidine
• IUPAC Traditional name: 4-ethoxy-1-[4-(piperidin-3-yl)benzoyl]piperidine
• Synonyms: 4-ethoxy-1-(4-piperidin-3-ylbenzoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4460734
• LogD (pH = 7.4): -0.7338934
• Log P: 1.7722509
• Molar Refractivity: 93.4979 cm^3
• Polarizability: 35.939465 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.49
• LOG S: -2.78
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4