N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1H-indole-5-carboxamide

• ChemBase ID: 493969
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC(=O)c2cc3c([nH]cc3)cc2)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)cc[nH]2)NC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H25N3O/c27-23(19-7-8-22-18(12-19)9-10-24-22)25-20-6-3-11-26(15-20)21-13-16-4-1-2-5-17(16)14-21/h1-2,4-5,7-10,12,20-21,24H,3,6,11,13-15H2,(H,25,27)
• InChIKey: YPIGVRXDSMBACN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1H-indole-5-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1H-indole-5-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-1H-indole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.006846
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8019159
• LogD (pH = 7.4): 2.5368295
• Log P: 3.743323
• Molar Refractivity: 108.6973 cm^3
• Polarizability: 42.654064 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.78
• LOG S: -5.28
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 3