N-{[1-(morpholin-4-yl)cyclopentyl]methyl}-4-(piperidin-3-yl)benzamide

• ChemBase ID: 823686
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: N1(C2(CNC(=O)c3ccc(cc3)C3CNCCC3)CCCC2)CCOCC1
• Canonical SMILES: O=C(c1ccc(cc1)C1CCCNC1)NCC1(CCCC1)N1CCOCC1
• InChI: InChI=1S/C22H33N3O2/c26-21(19-7-5-18(6-8-19)20-4-3-11-23-16-20)24-17-22(9-1-2-10-22)25-12-14-27-15-13-25/h5-8,20,23H,1-4,9-17H2,(H,24,26)
• InChIKey: MUAXTNYKWWVSAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(morpholin-4-yl)cyclopentyl]methyl}-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-{[1-(morpholin-4-yl)cyclopentyl]methyl}-4-(piperidin-3-yl)benzamide
• Synonyms: N-[(1-morpholin-4-ylcyclopentyl)methyl]-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.112777
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.486025
• LogD (pH = 7.4): -0.36453953
• Log P: 2.3091955
• Molar Refractivity: 108.7735 cm^3
• Polarizability: 42.26368 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.88
• LOG S: -3.51
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5