1-[4-(morpholine-4-carbonyl)phenyl]-N-[3-(pyridin-3-yl)propyl]piperidin-4-amine

• ChemBase ID: 458667
• Molecular Formular: C24H32N4O2
• Molecular Mass: 408.53648
• Monoisotopic Mass: 408.25252628
• SMILES: C(=O)(N1CCOCC1)c1ccc(N2CCC(CC2)NCCCc2cnccc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCCCc1cccnc1)N1CCOCC1
• InChI: InChI=1S/C24H32N4O2/c29-24(28-15-17-30-18-16-28)21-5-7-23(8-6-21)27-13-9-22(10-14-27)26-12-2-4-20-3-1-11-25-19-20/h1,3,5-8,11,19,22,26H,2,4,9-10,12-18H2
• InChIKey: HPFUISLZCWAYIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholine-4-carbonyl)phenyl]-N-[3-(pyridin-3-yl)propyl]piperidin-4-amine
• IUPAC Traditional name: 1-[4-(morpholine-4-carbonyl)phenyl]-N-[3-(pyridin-3-yl)propyl]piperidin-4-amine
• Synonyms: 1-[4-(4-morpholinylcarbonyl)phenyl]-N-[3-(3-pyridinyl)propyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4362706
• LogD (pH = 7.4): -0.6558135
• Log P: 2.0445704
• Molar Refractivity: 120.401 cm^3
• Polarizability: 45.77706 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.58
• LOG S: -4.08
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 7