(3-{2-[1-(3-methoxybenzoyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 533898
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c1(n(ccn1)CCCN(C)C)C1CCN(C(=O)c2cc(OC)ccc2)CC1
• Canonical SMILES: COc1cccc(c1)C(=O)N1CCC(CC1)c1nccn1CCCN(C)C
• InChI: InChI=1S/C21H30N4O2/c1-23(2)11-5-12-24-15-10-22-20(24)17-8-13-25(14-9-17)21(26)18-6-4-7-19(16-18)27-3/h4,6-7,10,15-17H,5,8-9,11-14H2,1-3H3
• InChIKey: KHTPAYBXRYMTBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(3-methoxybenzoyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(3-methoxybenzoyl)piperidin-4-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: (3-{2-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-imidazol-1-yl}propyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4068363
• LogD (pH = 7.4): -0.58144504
• Log P: 1.6901442
• Molar Refractivity: 108.3659 cm^3
• Polarizability: 41.216454 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.51
• LOG S: -3.19
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7