N-phenyl-4-[3-(pyridin-4-yl)propanamido]piperidine-1-carboxamide

• ChemBase ID: 526272
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: C(=O)(N1CCC(NC(=O)CCc2ccncc2)CC1)Nc1ccccc1
• Canonical SMILES: O=C(NC1CCN(CC1)C(=O)Nc1ccccc1)CCc1ccncc1
• InChI: InChI=1S/C20H24N4O2/c25-19(7-6-16-8-12-21-13-9-16)22-18-10-14-24(15-11-18)20(26)23-17-4-2-1-3-5-17/h1-5,8-9,12-13,18H,6-7,10-11,14-15H2,(H,22,25)(H,23,26)
• InChIKey: IEEWIJANHZUJHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenyl-4-[3-(pyridin-4-yl)propanamido]piperidine-1-carboxamide
• IUPAC Traditional name: N-phenyl-4-[3-(pyridin-4-yl)propanamido]piperidine-1-carboxamide
• Synonyms: N-phenyl-4-[(3-pyridin-4-ylpropanoyl)amino]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.419411
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2994574
• LogD (pH = 7.4): 1.4142818
• Log P: 1.4160233
• Molar Refractivity: 101.3827 cm^3
• Polarizability: 38.40842 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.76
• LOG S: -1.12
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5