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

• ChemBase ID: 392767
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: C12(c3c([C@H]([C@@H]1OC)NC(=O)CC)cccc3)CCN(C(=O)CCc1occc1)CC2
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)CC)c2c(C31CCN(CC3)C(=O)CCc1ccco1)cccc2
• InChI: InChI=1S/C24H30N2O4/c1-3-20(27)25-22-18-8-4-5-9-19(18)24(23(22)29-2)12-14-26(15-13-24)21(28)11-10-17-7-6-16-30-17/h4-9,16,22-23H,3,10-15H2,1-2H3,(H,25,27)/t22-,23+/m1/s1
• InChIKey: ASNLRNKOWDSAFT-PKTZIBPZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R,3R)-1'-[3-(furan-2-yl)propanoyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]propanamide
• IUPAC Traditional name: N-[(2R,3R)-1'-[3-(furan-2-yl)propanoyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl]propanamide
• Synonyms: N-{(2R*,3R*)-1'-[3-(2-furyl)propanoyl]-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.332313
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.127063
• LogD (pH = 7.4): 2.1270628
• Log P: 2.1270633
• Molar Refractivity: 113.8292 cm^3
• Polarizability: 44.219505 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.48
• LOG S: -4.25
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 4