N-methyl-2-{2-[2-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}aniline

• ChemBase ID: 667166
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: C(=O)(N1C(CCN2CCOCC2)CCCC1)c1c(NC)cccc1
• Canonical SMILES: CNc1ccccc1C(=O)N1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C19H29N3O2/c1-20-18-8-3-2-7-17(18)19(23)22-10-5-4-6-16(22)9-11-21-12-14-24-15-13-21/h2-3,7-8,16,20H,4-6,9-15H2,1H3
• InChIKey: GXKCRDZYQYMYGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{2-[2-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}aniline
• IUPAC Traditional name: N-methyl-2-{2-[2-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}aniline
• Synonyms: N-methyl-2-{[2-(2-morpholin-4-ylethyl)piperidin-1-yl]carbonyl}aniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5527498
• LogD (pH = 7.4): 1.9859644
• Log P: 2.1642535
• Molar Refractivity: 98.8948 cm^3
• Polarizability: 37.159637 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.64
• LOG S: -3.02
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5