N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 559274
• Molecular Formular: C22H35N3O2
• Molecular Mass: 373.5322
• Monoisotopic Mass: 373.27292738
• SMILES: C1(C(=O)N(CCOc2ccc(cc2)C)C)CN(C2CCN(CC2)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)N(CCOc1ccc(cc1)C)C
• InChI: InChI=1S/C22H35N3O2/c1-18-6-8-21(9-7-18)27-16-15-24(3)22(26)19-5-4-12-25(17-19)20-10-13-23(2)14-11-20/h6-9,19-20H,4-5,10-17H2,1-3H3
• InChIKey: MTEAYZBDTYUAEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• Synonyms: N,1'-dimethyl-N-[2-(4-methylphenoxy)ethyl]-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8989632
• LogD (pH = 7.4): -0.72828764
• Log P: 2.2438743
• Molar Refractivity: 110.8761 cm^3
• Polarizability: 43.202625 Å^3
• Polar Surface Area: 36.02 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: 3.32
• LOG S: -1.73
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6