1-(2,3-dihydro-1H-inden-2-yl)-N-[4-(1H-pyrazol-1-yl)phenyl]piperidine-2-carboxamide

• ChemBase ID: 620039
• Molecular Formular: C24H26N4O
• Molecular Mass: 386.48944
• Monoisotopic Mass: 386.21066147
• SMILES: N1(C2Cc3c(C2)cccc3)C(C(=O)Nc2ccc(n3nccc3)cc2)CCCC1
• Canonical SMILES: O=C(C1CCCCN1C1Cc2c(C1)cccc2)Nc1ccc(cc1)n1cccn1
• InChI: InChI=1S/C24H26N4O/c29-24(26-20-9-11-21(12-10-20)28-15-5-13-25-28)23-8-3-4-14-27(23)22-16-18-6-1-2-7-19(18)17-22/h1-2,5-7,9-13,15,22-23H,3-4,8,14,16-17H2,(H,26,29)
• InChIKey: RDQBSCGRNVHJPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3-dihydro-1H-inden-2-yl)-N-[4-(1H-pyrazol-1-yl)phenyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-(2,3-dihydro-1H-inden-2-yl)-N-[4-(pyrazol-1-yl)phenyl]piperidine-2-carboxamide
• Synonyms: 1-(2,3-dihydro-1H-inden-2-yl)-N-[4-(1H-pyrazol-1-yl)phenyl]-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.371283
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7082093
• LogD (pH = 7.4): 3.482283
• Log P: 4.3633857
• Molar Refractivity: 116.9464 cm^3
• Polarizability: 44.70598 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.61
• LOG S: -5.58
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4