N-[(3R)-piperidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 395358
• Molecular Formular: C18H25N3O
• Molecular Mass: 299.4106
• Monoisotopic Mass: 299.19976244
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)N[C@H]1CNCCC1
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)N[C@@H]1CCCNC1
• InChI: InChI=1S/C18H25N3O/c1-11-7-12(2)18-16(8-11)15(13(3)20-18)9-17(22)21-14-5-4-6-19-10-14/h7-8,14,19-20H,4-6,9-10H2,1-3H3,(H,21,22)/t14-/m1/s1
• InChIKey: QZLAWVKWJWULDP-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R)-piperidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[(3R)-piperidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[(3R)-3-piperidinyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.980375
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -0.7216966
• LogD (pH = 7.4): 0.35810578
• Log P: 2.4540548
• Molar Refractivity: 90.3387 cm^3
• Polarizability: 35.748096 Å^3
• Polar Surface Area: 56.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 2.09
• LOG S: -3.17
• Polar Surface Area: 56.92 Å^2
• Rotatable Bonds: 3