N-benzyl-3-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-methylpropanamide

• ChemBase ID: 409654
• Molecular Formular: C23H34N2O
• Molecular Mass: 354.52886
• Monoisotopic Mass: 354.26711372
• SMILES: C(=O)(N(Cc1ccccc1)C)CCC1CCN(CC2CC=CCC2)CC1
• Canonical SMILES: O=C(N(Cc1ccccc1)C)CCC1CCN(CC1)CC1CCC=CC1
• InChI: InChI=1S/C23H34N2O/c1-24(18-21-8-4-2-5-9-21)23(26)13-12-20-14-16-25(17-15-20)19-22-10-6-3-7-11-22/h2-6,8-9,20,22H,7,10-19H2,1H3
• InChIKey: NQVQXLBXBPFMCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-methylpropanamide
• IUPAC Traditional name: N-benzyl-3-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-methylpropanamide
• Synonyms: N-benzyl-3-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.52352977
• LogD (pH = 7.4): 1.0007368
• Log P: 4.0136943
• Molar Refractivity: 110.6359 cm^3
• Polarizability: 42.70856 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.17
• LOG S: -4.28
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7