N-(2,4-dimethoxyphenyl)-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide

• ChemBase ID: 487733
• Molecular Formular: C23H29N3O5
• Molecular Mass: 427.49346
• Monoisotopic Mass: 427.21072104
• SMILES: C(=O)(c1c(nccc1)OC)N1CCC(CC1)CCC(=O)Nc1c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)NC(=O)CCC1CCN(CC1)C(=O)c1cccnc1OC
• InChI: InChI=1S/C23H29N3O5/c1-29-17-7-8-19(20(15-17)30-2)25-21(27)9-6-16-10-13-26(14-11-16)23(28)18-5-4-12-24-22(18)31-3/h4-5,7-8,12,15-16H,6,9-11,13-14H2,1-3H3,(H,25,27)
• InChIKey: HCEPCMBKHURAPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethoxyphenyl)-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-(2,4-dimethoxyphenyl)-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
• Synonyms: N-(2,4-dimethoxyphenyl)-3-{1-[(2-methoxy-3-pyridinyl)carbonyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.809385
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.3155284
• LogD (pH = 7.4): 2.31559
• Log P: 2.3155923
• Molar Refractivity: 118.3113 cm^3
• Polarizability: 44.650497 Å^3
• Polar Surface Area: 89.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.97
• LOG S: -5.19
• Polar Surface Area: 89.99 Å^2
• Rotatable Bonds: 5