N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-phenylacetamide

• ChemBase ID: 556152
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OC)NC(=O)Cc1ccccc1
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)Cc2ccccc2)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C22H26N2O2/c1-26-21-20(24-19(25)15-16-7-3-2-4-8-16)17-9-5-6-10-18(17)22(21)11-13-23-14-12-22/h2-10,20-21,23H,11-15H2,1H3,(H,24,25)/t20-,21+/m1/s1
• InChIKey: GSBUBGSQXFJQHY-RTWAWAEBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-phenylacetamide
• IUPAC Traditional name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-phenylacetamide
• Synonyms: N-[(2R*,3R*)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.425172
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7514799
• LogD (pH = 7.4): -0.051419914
• Log P: 2.4676774
• Molar Refractivity: 102.4905 cm^3
• Polarizability: 40.311264 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.05
• LOG S: -4.36
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4