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

• ChemBase ID: 700332
• Molecular Formular: C24H25N3O3
• Molecular Mass: 403.4736
• Monoisotopic Mass: 403.18959168
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OCc1cnccc1)NC(=O)c1occc1
• Canonical SMILES: O=C(c1ccco1)N[C@@H]1c2ccccc2C2([C@H]1OCc1cccnc1)CCNCC2
• InChI: InChI=1S/C24H25N3O3/c28-23(20-8-4-14-29-20)27-21-18-6-1-2-7-19(18)24(9-12-25-13-10-24)22(21)30-16-17-5-3-11-26-15-17/h1-8,11,14-15,21-22,25H,9-10,12-13,16H2,(H,27,28)/t21-,22+/m1/s1
• InChIKey: JEOKQEWULPGOBT-YADHBBJMSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.100209
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.2247232
• LogD (pH = 7.4): -0.46502757
• Log P: 2.0545592
• Molar Refractivity: 113.2857 cm^3
• Polarizability: 43.8037 Å^3
• Polar Surface Area: 76.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.42
• LOG S: -2.91
• Polar Surface Area: 76.39 Å^2
• Rotatable Bonds: 5