N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,1-dimethyl-2-oxoimidazolidine-4-carboxamide

• ChemBase ID: 465802
• Molecular Formular: C21H32N4O3
• Molecular Mass: 388.50378
• Monoisotopic Mass: 388.2474409
• SMILES: C1(NC(=O)N(C1)C)C(=O)N(CC1CCN(CCc2ccc(cc2)OC)CC1)C
• Canonical SMILES: COc1ccc(cc1)CCN1CCC(CC1)CN(C(=O)C1NC(=O)N(C1)C)C
• InChI: InChI=1S/C21H32N4O3/c1-23(20(26)19-15-24(2)21(27)22-19)14-17-9-12-25(13-10-17)11-8-16-4-6-18(28-3)7-5-16/h4-7,17,19H,8-15H2,1-3H3,(H,22,27)
• InChIKey: ZIKKWPOXCIVCHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,1-dimethyl-2-oxoimidazolidine-4-carboxamide
• IUPAC Traditional name: N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,1-dimethyl-2-oxoimidazolidine-4-carboxamide
• Synonyms: N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}methyl)-N,1-dimethyl-2-oxoimidazolidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.687445
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4250007
• LogD (pH = 7.4): -0.86490494
• Log P: 0.80888844
• Molar Refractivity: 109.4091 cm^3
• Polarizability: 42.179764 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.39
• LOG S: -3.22
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 7