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

• ChemBase ID: 396260
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: [C@H]1(NC(=O)C(C)C)[C@@H](C2(c3c1cccc3)CCNCC2)OC
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)C(C)C)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C18H26N2O2/c1-12(2)17(21)20-15-13-6-4-5-7-14(13)18(16(15)22-3)8-10-19-11-9-18/h4-7,12,15-16,19H,8-11H2,1-3H3,(H,20,21)/t15-,16+/m1/s1
• InChIKey: DGGGGAFZNVSMGJ-CVEARBPZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.543648
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3422979
• LogD (pH = 7.4): -0.6422406
• Log P: 1.8768595
• Molar Refractivity: 86.97 cm^3
• Polarizability: 34.389484 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: 2.32
• LOG S: -3.39
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 3