2,6-dimethoxy-N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]benzamide

• ChemBase ID: 403009
• Molecular Formular: C23H28N2O4
• Molecular Mass: 396.47942
• Monoisotopic Mass: 396.20490739
• SMILES: C(=O)(N[C@H]1[C@@H](C2(c3c1cccc3)CCNCC2)OC)c1c(OC)cccc1OC
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)c2c(OC)cccc2OC)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C23H28N2O4/c1-27-17-9-6-10-18(28-2)19(17)22(26)25-20-15-7-4-5-8-16(15)23(21(20)29-3)11-13-24-14-12-23/h4-10,20-21,24H,11-14H2,1-3H3,(H,25,26)/t20-,21+/m1/s1
• InChIKey: FHPJGXMVVVMWCU-RTWAWAEBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]benzamide
• IUPAC Traditional name: 2,6-dimethoxy-N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]benzamide
• Synonyms: 2,6-dimethoxy-N-[(2R*,3R*)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.038569
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.0469861
• LogD (pH = 7.4): -0.34690157
• Log P: 2.1721694
• Molar Refractivity: 111.3655 cm^3
• Polarizability: 43.28086 Å^3
• Polar Surface Area: 68.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.04
• LOG S: -3.83
• Polar Surface Area: 68.82 Å^2
• Rotatable Bonds: 5