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

• ChemBase ID: 378381
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OCc1cnccc1)NC(=O)C(C)C
• Canonical SMILES: O=C(C(C)C)N[C@@H]1c2ccccc2C2([C@H]1OCc1cccnc1)CCNCC2
• InChI: InChI=1S/C23H29N3O2/c1-16(2)22(27)26-20-18-7-3-4-8-19(18)23(9-12-24-13-10-23)21(20)28-15-17-6-5-11-25-14-17/h3-8,11,14,16,20-21,24H,9-10,12-13,15H2,1-2H3,(H,26,27)/t20-,21+/m1/s1
• InChIKey: BLTUPQZFUKOGML-RTWAWAEBSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.23629
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.8956438
• LogD (pH = 7.4): -0.13625309
• Log P: 2.3836603
• Molar Refractivity: 109.4257 cm^3
• Polarizability: 43.08415 Å^3
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.95
• LOG S: -3.19
• Polar Surface Area: 63.25 Å^2
• Rotatable Bonds: 5