N-[4-(4-{[2-(morpholin-4-yl)ethyl]amino}piperidin-1-yl)phenyl]-5-phenylpentanamide

• ChemBase ID: 459813
• Molecular Formular: C28H40N4O2
• Molecular Mass: 464.6428
• Monoisotopic Mass: 464.31512654
• SMILES: N1(c2ccc(NC(=O)CCCCc3ccccc3)cc2)CCC(CC1)NCCN1CCOCC1
• Canonical SMILES: O=C(Nc1ccc(cc1)N1CCC(CC1)NCCN1CCOCC1)CCCCc1ccccc1
• InChI: InChI=1S/C28H40N4O2/c33-28(9-5-4-8-24-6-2-1-3-7-24)30-26-10-12-27(13-11-26)32-17-14-25(15-18-32)29-16-19-31-20-22-34-23-21-31/h1-3,6-7,10-13,25,29H,4-5,8-9,14-23H2,(H,30,33)
• InChIKey: WKOGMAYCRQJSSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(4-{[2-(morpholin-4-yl)ethyl]amino}piperidin-1-yl)phenyl]-5-phenylpentanamide
• IUPAC Traditional name: N-[4-(4-{[2-(morpholin-4-yl)ethyl]amino}piperidin-1-yl)phenyl]-5-phenylpentanamide
• Synonyms: N-[4-(4-{[2-(4-morpholinyl)ethyl]amino}-1-piperidinyl)phenyl]-5-phenylpentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.799845
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6712387
• LogD (pH = 7.4): 1.4229999
• Log P: 3.930948
• Molar Refractivity: 141.1245 cm^3
• Polarizability: 53.951183 Å^3
• Polar Surface Area: 56.84 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.16
• LOG S: -4.82
• Polar Surface Area: 56.84 Å^2
• Rotatable Bonds: 11