N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 498331
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: N1(C2Cc3c(C2)cccc3)CCC(CN(C(=O)CC)CC2OCCC2)CC1
• Canonical SMILES: CCC(=O)N(CC1CCCO1)CC1CCN(CC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H34N2O2/c1-2-23(26)25(17-22-8-5-13-27-22)16-18-9-11-24(12-10-18)21-14-19-6-3-4-7-20(19)15-21/h3-4,6-7,18,21-22H,2,5,8-17H2,1H3
• InChIKey: QBYDRNUVHINYJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(tetrahydrofuran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.25479048
• LogD (pH = 7.4): 1.0112952
• Log P: 3.1363854
• Molar Refractivity: 109.7574 cm^3
• Polarizability: 42.724068 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.93
• LOG S: -4.4
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6