N3-(3-methoxypropyl)-N1,N1-dimethyl-N3-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 668041
• Molecular Formular: C21H33N3O3
• Molecular Mass: 375.50502
• Monoisotopic Mass: 375.25219193
• SMILES: C(=O)(N1CC(C(=O)N(Cc2ccc(cc2)C)CCCOC)CCC1)N(C)C
• Canonical SMILES: COCCCN(C(=O)C1CCCN(C1)C(=O)N(C)C)Cc1ccc(cc1)C
• InChI: InChI=1S/C21H33N3O3/c1-17-8-10-18(11-9-17)15-23(13-6-14-27-4)20(25)19-7-5-12-24(16-19)21(26)22(2)3/h8-11,19H,5-7,12-16H2,1-4H3
• InChIKey: RRQUMRCTTAPWIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-(3-methoxypropyl)-N1,N1-dimethyl-N3-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-(3-methoxypropyl)-N1,N1-dimethyl-N3-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-(3-methoxypropyl)-N~1~,N~1~-dimethyl-N~3~-(4-methylbenzyl)-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6511762
• LogD (pH = 7.4): 1.6511768
• Log P: 1.6511768
• Molar Refractivity: 108.1356 cm^3
• Polarizability: 41.390446 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.23
• LOG S: -3.84
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 7