N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-1-methyl-1H-imidazole-5-carboxamide

• ChemBase ID: 637532
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: c1(C(=O)N[C@H]2[C@@H](C3(c4c2cccc4)CCNCC3)OC)n(cnc1)C
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)c2cncn2C)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C19H24N4O2/c1-23-12-21-11-15(23)18(24)22-16-13-5-3-4-6-14(13)19(17(16)25-2)7-9-20-10-8-19/h3-6,11-12,16-17,20H,7-10H2,1-2H3,(H,22,24)/t16-,17+/m1/s1
• InChIKey: FUFIIQWACYTBIH-SJORKVTESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-1-methyl-1H-imidazole-5-carboxamide
• IUPAC Traditional name: N-[(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]-3-methylimidazole-4-carboxamide
• Synonyms: N-[(2R*,3R*)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-1-methyl-1H-imidazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.294846
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8195264
• LogD (pH = 7.4): -2.0081742
• Log P: 0.51271904
• Molar Refractivity: 96.1681 cm^3
• Polarizability: 36.82645 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.04
• LOG S: -2.57
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3