4-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 470594
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(cc1)OC)c1cc(ncc1)N
• Canonical SMILES: COc1ccc(cc1)OC1CCN(CC1)C(=O)c1ccnc(c1)N
• InChI: InChI=1S/C18H21N3O3/c1-23-14-2-4-15(5-3-14)24-16-7-10-21(11-8-16)18(22)13-6-9-20-17(19)12-13/h2-6,9,12,16H,7-8,10-11H2,1H3,(H2,19,20)
• InChIKey: CFOAEOTXTWMQFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: 4-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: 4-{[4-(4-methoxyphenoxy)-1-piperidinyl]carbonyl}-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1920568
• LogD (pH = 7.4): 1.3118557
• Log P: 1.3136374
• Molar Refractivity: 92.2342 cm^3
• Polarizability: 34.68023 Å^3
• Polar Surface Area: 77.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.53
• LOG S: -2.89
• Polar Surface Area: 77.68 Å^2
• Rotatable Bonds: 4