4-(3-{4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}phenyl)morpholine

• ChemBase ID: 857942
• Molecular Formular: C22H30N4O3
• Molecular Mass: 398.4986
• Monoisotopic Mass: 398.23179084
• SMILES: c1(n(ccn1)CCOC)C1CCN(C(=O)c2cc(N3CCOCC3)ccc2)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)C(=O)c1cccc(c1)N1CCOCC1
• InChI: InChI=1S/C22H30N4O3/c1-28-14-11-25-10-7-23-21(25)18-5-8-26(9-6-18)22(27)19-3-2-4-20(17-19)24-12-15-29-16-13-24/h2-4,7,10,17-18H,5-6,8-9,11-16H2,1H3
• InChIKey: YZYYAFRJHXDSAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.93936247
• LogD (pH = 7.4): 1.5822797
• Log P: 1.6117791
• Molar Refractivity: 113.5648 cm^3
• Polarizability: 42.664024 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.17
• LOG S: -3.27
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 6