N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(2-oxopiperidin-1-yl)propanamide

• ChemBase ID: 497959
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: N1(C(=O)CCCC1)CCC(=O)N[C@H]1[C@H](OCc2ccccc2)CCC1
• Canonical SMILES: O=C(N[C@@H]1CCC[C@H]1OCc1ccccc1)CCN1CCCCC1=O
• InChI: InChI=1S/C20H28N2O3/c23-19(12-14-22-13-5-4-11-20(22)24)21-17-9-6-10-18(17)25-15-16-7-2-1-3-8-16/h1-3,7-8,17-18H,4-6,9-15H2,(H,21,23)/t17-,18-/m1/s1
• InChIKey: CUNOBBXLSWNEIB-QZTJIDSGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(2-oxopiperidin-1-yl)propanamide
• IUPAC Traditional name: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(2-oxopiperidin-1-yl)propanamide
• Synonyms: N-[(1R,2R)-2-(benzyloxy)cyclopentyl]-3-(2-oxopiperidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.643135
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8677627
• LogD (pH = 7.4): 1.8677628
• Log P: 1.8677628
• Molar Refractivity: 96.397 cm^3
• Polarizability: 37.759224 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.86
• LOG S: -3.3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7