5-(4-benzylpiperidine-1-carbonyl)-1-[3-(morpholin-4-yl)propyl]piperidin-2-one

• ChemBase ID: 846868
• Molecular Formular: C25H37N3O3
• Molecular Mass: 427.57958
• Monoisotopic Mass: 427.28349206
• SMILES: C(=O)(C1CN(C(=O)CC1)CCCN1CCOCC1)N1CCC(Cc2ccccc2)CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCCN1CCOCC1)N1CCC(CC1)Cc1ccccc1
• InChI: InChI=1S/C25H37N3O3/c29-24-8-7-23(20-28(24)12-4-11-26-15-17-31-18-16-26)25(30)27-13-9-22(10-14-27)19-21-5-2-1-3-6-21/h1-3,5-6,22-23H,4,7-20H2
• InChIKey: TWVQIAVFIXLBNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-benzylpiperidine-1-carbonyl)-1-[3-(morpholin-4-yl)propyl]piperidin-2-one
• IUPAC Traditional name: 5-(4-benzylpiperidine-1-carbonyl)-1-[3-(morpholin-4-yl)propyl]piperidin-2-one
• Synonyms: 5-[(4-benzyl-1-piperidinyl)carbonyl]-1-[3-(4-morpholinyl)propyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.2694266
• LogD (pH = 7.4): 1.5641191
• Log P: 1.6835586
• Molar Refractivity: 122.8027 cm^3
• Polarizability: 47.69143 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.75
• LOG S: -1.38
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7