N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidin-3-amine

• ChemBase ID: 441868
• Molecular Formular: C18H21N3O2
• Molecular Mass: 311.37824
• Monoisotopic Mass: 311.16337693
• SMILES: N1(C(=O)c2cnccc2)CC(Nc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)NC1CCCN(C1)C(=O)c1cccnc1
• InChI: InChI=1S/C18H21N3O2/c1-23-17-8-6-15(7-9-17)20-16-5-3-11-21(13-16)18(22)14-4-2-10-19-12-14/h2,4,6-10,12,16,20H,3,5,11,13H2,1H3
• InChIKey: IUUGNMKLPNBGFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidin-3-amine
• Synonyms: N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2675112
• LogD (pH = 7.4): 1.628769
• Log P: 1.6359581
• Molar Refractivity: 90.7301 cm^3
• Polarizability: 33.993122 Å^3
• Polar Surface Area: 54.46 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: 2.0
• LOG S: -3.53
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3