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

• ChemBase ID: 393082
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: [C@@H]1([C@@H](C2(c3c1cccc3)CCNCC2)OC)NC(=O)CC1CCCC1
• Canonical SMILES: CO[C@H]1[C@H](NC(=O)CC2CCCC2)c2c(C31CCNCC3)cccc2
• InChI: InChI=1S/C21H30N2O2/c1-25-20-19(23-18(24)14-15-6-2-3-7-15)16-8-4-5-9-17(16)21(20)10-12-22-13-11-21/h4-5,8-9,15,19-20,22H,2-3,6-7,10-14H2,1H3,(H,23,24)/t19-,20+/m1/s1
• InChIKey: KKBVQTYNBWTRAC-UXHICEINSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.616322
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7282853
• LogD (pH = 7.4): -0.028231055
• Log P: 2.4908724
• Molar Refractivity: 98.9449 cm^3
• Polarizability: 39.18768 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.47
• LOG S: -4.66
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4