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

• ChemBase ID: 597210
• Molecular Formular: C20H29N3O2
• Molecular Mass: 343.46316
• Monoisotopic Mass: 343.22597718
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OC)NC(=O)CN1CCCC1
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)CN2CCCC2)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C20H29N3O2/c1-25-19-18(22-17(24)14-23-12-4-5-13-23)15-6-2-3-7-16(15)20(19)8-10-21-11-9-20/h2-3,6-7,18-19,21H,4-5,8-14H2,1H3,(H,22,24)/t18-,19+/m1/s1
• InChIKey: MPNJKXFSCRTHQD-MOPGFXCFSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.24465
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.2978497
• LogD (pH = 7.4): -1.9530249
• Log P: 0.93063337
• Molar Refractivity: 98.7386 cm^3
• Polarizability: 38.870693 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.85
• LOG S: -3.28
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4