1-(3,5-dimethoxybenzoyl)-3-(3-methoxybenzoyl)piperidine

• ChemBase ID: 726358
• Molecular Formular: C22H25NO5
• Molecular Mass: 383.4376
• Monoisotopic Mass: 383.17327291
• SMILES: N1(C(=O)c2cc(cc(c2)OC)OC)CC(C(=O)c2cc(OC)ccc2)CCC1
• Canonical SMILES: COc1cccc(c1)C(=O)C1CCCN(C1)C(=O)c1cc(OC)cc(c1)OC
• InChI: InChI=1S/C22H25NO5/c1-26-18-8-4-6-15(10-18)21(24)16-7-5-9-23(14-16)22(25)17-11-19(27-2)13-20(12-17)28-3/h4,6,8,10-13,16H,5,7,9,14H2,1-3H3
• InChIKey: PHPGGGSMHQPTIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethoxybenzoyl)-3-(3-methoxybenzoyl)piperidine
• IUPAC Traditional name: 1-(3,5-dimethoxybenzoyl)-3-(3-methoxybenzoyl)piperidine
• Synonyms: [1-(3,5-dimethoxybenzoyl)-3-piperidinyl](3-methoxyphenyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.245096
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7814815
• LogD (pH = 7.4): 2.7814815
• Log P: 2.7814815
• Molar Refractivity: 106.3644 cm^3
• Polarizability: 40.69105 Å^3
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.42
• LOG S: -3.38
• Polar Surface Area: 65.07 Å^2
• Rotatable Bonds: 3