N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

• ChemBase ID: 568505
• Molecular Formular: C22H30N4O2
• Molecular Mass: 382.4992
• Monoisotopic Mass: 382.23687622
• SMILES: n1c(oc(n1)CCC(=O)NCC1CCN(CC1)C1CCCC1)c1ccccc1
• Canonical SMILES: O=C(CCc1nnc(o1)c1ccccc1)NCC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H30N4O2/c27-20(10-11-21-24-25-22(28-21)18-6-2-1-3-7-18)23-16-17-12-14-26(15-13-17)19-8-4-5-9-19/h1-3,6-7,17,19H,4-5,8-16H2,(H,23,27)
• InChIKey: NOUYXIXTTDMCOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.641997
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2812968
• LogD (pH = 7.4): -0.44417015
• Log P: 2.1862254
• Molar Refractivity: 120.8204 cm^3
• Polarizability: 42.77424 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.08
• LOG S: -4.65
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7