N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-phenoxypropanamide

• ChemBase ID: 857644
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: N(C(=O)CCOc1ccccc1)[C@H]1[C@H](O)CNCC1
• Canonical SMILES: O=C(N[C@@H]1CCNC[C@H]1O)CCOc1ccccc1
• InChI: InChI=1S/C14H20N2O3/c17-13-10-15-8-6-12(13)16-14(18)7-9-19-11-4-2-1-3-5-11/h1-5,12-13,15,17H,6-10H2,(H,16,18)/t12-,13-/m1/s1
• InChIKey: NGFSEXSEUPCKTR-CHWSQXEVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-phenoxypropanamide
• IUPAC Traditional name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-phenoxypropanamide
• Synonyms: N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-3-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198299
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.256486
• LogD (pH = 7.4): -2.0870368
• Log P: -0.09923244
• Molar Refractivity: 71.2776 cm^3
• Polarizability: 28.370237 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.03
• LOG S: -2.41
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 5