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

• ChemBase ID: 567093
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C12(c3c([C@H]([C@@H]1OC)NC(=O)CC)cccc3)CCN(CC2)Cc1ncccc1
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)CC)c2c(C31CCN(CC3)Cc1ccccn1)cccc2
• InChI: InChI=1S/C23H29N3O2/c1-3-20(27)25-21-18-9-4-5-10-19(18)23(22(21)28-2)11-14-26(15-12-23)16-17-8-6-7-13-24-17/h4-10,13,21-22H,3,11-12,14-16H2,1-2H3,(H,25,27)/t21-,22+/m1/s1
• InChIKey: UPTYMKHEEANCKO-YADHBBJMSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.249453
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13026635
• LogD (pH = 7.4): 1.631325
• Log P: 2.305194
• Molar Refractivity: 109.6237 cm^3
• Polarizability: 43.086685 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -3.56
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 3