3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[1-(2-methoxyethyl)piperidine-4-carbonyl]piperidine

• ChemBase ID: 674377
• Molecular Formular: C21H34N4O2
• Molecular Mass: 374.52026
• Monoisotopic Mass: 374.26817635
• SMILES: c1(n(CC2CC2)ccn1)C1CN(C(=O)C2CCN(CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CCC(CC1)C(=O)N1CCCC(C1)c1nccn1CC1CC1
• InChI: InChI=1S/C21H34N4O2/c1-27-14-13-23-10-6-18(7-11-23)21(26)25-9-2-3-19(16-25)20-22-8-12-24(20)15-17-4-5-17/h8,12,17-19H,2-7,9-11,13-16H2,1H3
• InChIKey: QAIZZRTZQHZDCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[1-(2-methoxyethyl)piperidine-4-carbonyl]piperidine
• IUPAC Traditional name: 3-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[1-(2-methoxyethyl)piperidine-4-carbonyl]piperidine
• Synonyms: 3-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-{[1-(2-methoxyethyl)-4-piperidinyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3978152
• LogD (pH = 7.4): -0.053352393
• Log P: 1.2911718
• Molar Refractivity: 106.9055 cm^3
• Polarizability: 41.45185 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: 1.15
• LOG S: -2.91
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 7