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

• ChemBase ID: 687532
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: [C@H]1(NC(=O)c2ccccc2)[C@@H](C2(c3c1cccc3)CCNCC2)OC
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)c2ccccc2)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C21H24N2O2/c1-25-19-18(23-20(24)15-7-3-2-4-8-15)16-9-5-6-10-17(16)21(19)11-13-22-14-12-21/h2-10,18-19,22H,11-14H2,1H3,(H,23,24)/t18-,19+/m1/s1
• InChIKey: WIASZJSSHSSDER-MOPGFXCFSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.200966
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.73164636
• LogD (pH = 7.4): -0.03159965
• Log P: 2.4875119
• Molar Refractivity: 98.4391 cm^3
• Polarizability: 38.24679 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.52
• LOG S: -3.81
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3