N-benzyl-3-[1-(1-ethylpiperidine-2-carbonyl)piperidin-4-yl]-N-methylpropanamide

• ChemBase ID: 495458
• Molecular Formular: C24H37N3O2
• Molecular Mass: 399.56948
• Monoisotopic Mass: 399.28857744
• SMILES: C(=O)(N1CCC(CCC(=O)N(Cc2ccccc2)C)CC1)C1N(CC)CCCC1
• Canonical SMILES: CCN1CCCCC1C(=O)N1CCC(CC1)CCC(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C24H37N3O2/c1-3-26-16-8-7-11-22(26)24(29)27-17-14-20(15-18-27)12-13-23(28)25(2)19-21-9-5-4-6-10-21/h4-6,9-10,20,22H,3,7-8,11-19H2,1-2H3
• InChIKey: YYKRDHANBAHMSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[1-(1-ethylpiperidine-2-carbonyl)piperidin-4-yl]-N-methylpropanamide
• IUPAC Traditional name: N-benzyl-3-[1-(1-ethylpiperidine-2-carbonyl)piperidin-4-yl]-N-methylpropanamide
• Synonyms: N-benzyl-3-{1-[(1-ethyl-2-piperidinyl)carbonyl]-4-piperidinyl}-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.13145861
• LogD (pH = 7.4): 1.9052742
• Log P: 2.798856
• Molar Refractivity: 118.1104 cm^3
• Polarizability: 45.963814 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.21
• LOG S: -2.86
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 6