N-{3-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]phenyl}propanamide

• ChemBase ID: 420048
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: C(=O)(N1CCC(Oc2ncccn2)CC1)c1cc(NC(=O)CC)ccc1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)C(=O)N1CCC(CC1)Oc1ncccn1
• InChI: InChI=1S/C19H22N4O3/c1-2-17(24)22-15-6-3-5-14(13-15)18(25)23-11-7-16(8-12-23)26-19-20-9-4-10-21-19/h3-6,9-10,13,16H,2,7-8,11-12H2,1H3,(H,22,24)
• InChIKey: QLPNUKQGQRFISS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]phenyl}propanamide
• IUPAC Traditional name: N-{3-[4-(pyrimidin-2-yloxy)piperidine-1-carbonyl]phenyl}propanamide
• Synonyms: N-(3-{[4-(pyrimidin-2-yloxy)piperidin-1-yl]carbonyl}phenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839474
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6169609
• LogD (pH = 7.4): 1.616971
• Log P: 1.6169714
• Molar Refractivity: 99.0142 cm^3
• Polarizability: 36.87398 Å^3
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.13
• LOG S: -2.75
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 5