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

• ChemBase ID: 656509
• Molecular Formular: C25H31N3O
• Molecular Mass: 389.53314
• Monoisotopic Mass: 389.24671263
• SMILES: c1(n(c2c(c1)cccc2)C)C(=O)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: O=C(c1cc2c(n1C)cccc2)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C25H31N3O/c1-26(25(29)24-18-21-13-6-7-15-23(21)27(24)2)22-14-9-17-28(19-22)16-8-12-20-10-4-3-5-11-20/h3-7,10-11,13,15,18,22H,8-9,12,14,16-17,19H2,1-2H3
• InChIKey: BKKSHHHCIVEWNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4243073
• LogD (pH = 7.4): 3.1271198
• Log P: 4.4555893
• Molar Refractivity: 119.9894 cm^3
• Polarizability: 47.094467 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.8
• LOG S: -5.47
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 6