N-(4-methoxyphenyl)-1-(3-phenylbenzoyl)piperidin-3-amine

• ChemBase ID: 657785
• Molecular Formular: C25H26N2O2
• Molecular Mass: 386.48614
• Monoisotopic Mass: 386.19942808
• SMILES: N1(C(=O)c2cc(c3ccccc3)ccc2)CC(Nc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1cccc(c1)c1ccccc1
• InChI: InChI=1S/C25H26N2O2/c1-29-24-14-12-22(13-15-24)26-23-11-6-16-27(18-23)25(28)21-10-5-9-20(17-21)19-7-3-2-4-8-19/h2-5,7-10,12-15,17,23,26H,6,11,16,18H2,1H3
• InChIKey: ASYFIBDVMIBSQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-1-(3-phenylbenzoyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-methoxyphenyl)-1-(3-phenylbenzoyl)piperidin-3-amine
• Synonyms: 1-(3-biphenylylcarbonyl)-N-(4-methoxyphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1373487
• LogD (pH = 7.4): 4.4937296
• Log P: 4.500856
• Molar Refractivity: 118.0232 cm^3
• Polarizability: 45.893635 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.99
• LOG S: -6.04
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4