N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]cyclopent-1-ene-1-carboxamide

• ChemBase ID: 441342
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC(=O)C2=CCCC2)CCC1
• Canonical SMILES: O=C(C1=CCCC1)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C20H26N2O/c23-20(15-6-1-2-7-15)21-18-10-5-11-22(14-18)19-12-16-8-3-4-9-17(16)13-19/h3-4,6,8-9,18-19H,1-2,5,7,10-14H2,(H,21,23)
• InChIKey: XYNBLHPVMWOGCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]cyclopent-1-ene-1-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]cyclopent-1-ene-1-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-1-cyclopentene-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.9171715
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.26092926
• LogD (pH = 7.4): 1.9558711
• Log P: 3.3097079
• Molar Refractivity: 94.4174 cm^3
• Polarizability: 36.276714 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.21
• LOG S: -4.6
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3