1-cyclopropyl-N-[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 655778
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: N1(CC(C(=O)NCc2cc3c(N(CC3)C)cc2)CCC1=O)C1CC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CC1)NCc1ccc2c(c1)CCN2C
• InChI: InChI=1S/C19H25N3O2/c1-21-9-8-14-10-13(2-6-17(14)21)11-20-19(24)15-3-7-18(23)22(12-15)16-4-5-16/h2,6,10,15-16H,3-5,7-9,11-12H2,1H3,(H,20,24)
• InChIKey: FWBJVRFRCUORDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-[(1-methyl-2,3-dihydro-1H-indol-5-yl)methyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.654314
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2053525
• LogD (pH = 7.4): 1.2217774
• Log P: 1.2219908
• Molar Refractivity: 94.1224 cm^3
• Polarizability: 35.55962 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.65
• LOG S: -2.12
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4