N,1-dimethyl-N-[1-(2-phenylethyl)piperidin-3-yl]-1H-indole-2-carboxamide

• ChemBase ID: 501800
• Molecular Formular: C24H29N3O
• Molecular Mass: 375.50656
• Monoisotopic Mass: 375.23106256
• SMILES: c1(n(c2c(c1)cccc2)C)C(=O)N(C1CN(CCc2ccccc2)CCC1)C
• Canonical SMILES: O=C(c1cc2c(n1C)cccc2)N(C1CCCN(C1)CCc1ccccc1)C
• InChI: InChI=1S/C24H29N3O/c1-25(24(28)23-17-20-11-6-7-13-22(20)26(23)2)21-12-8-15-27(18-21)16-14-19-9-4-3-5-10-19/h3-7,9-11,13,17,21H,8,12,14-16,18H2,1-2H3
• InChIKey: SVIVBBJCJJFDSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1345918
• LogD (pH = 7.4): 2.8856153
• Log P: 4.0110207
• Molar Refractivity: 115.3884 cm^3
• Polarizability: 45.247032 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.42
• LOG S: -5.0
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 5