N-[(2R,3R)-2-hydroxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-2-(3-methoxyphenyl)acetamide

• ChemBase ID: 346246
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)O)NC(=O)Cc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)CC(=O)N[C@@H]1c2ccccc2C2([C@H]1O)CCNCC2
• InChI: InChI=1S/C22H26N2O3/c1-27-16-6-4-5-15(13-16)14-19(25)24-20-17-7-2-3-8-18(17)22(21(20)26)9-11-23-12-10-22/h2-8,13,20-21,23,26H,9-12,14H2,1H3,(H,24,25)/t20-,21+/m1/s1
• InChIKey: WVMMZNFBXFEEEB-RTWAWAEBSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.131205
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.5306615
• LogD (pH = 7.4): -0.5962584
• Log P: 1.6668795
• Molar Refractivity: 104.2025 cm^3
• Polarizability: 40.90148 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.4
• LOG S: -3.92
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 4