N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide

• ChemBase ID: 550749
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: C(=O)(N(CCc1ccccc1)C1CCN(CC1)C)N1CCOCC1
• Canonical SMILES: CN1CCC(CC1)N(C(=O)N1CCOCC1)CCc1ccccc1
• InChI: InChI=1S/C19H29N3O2/c1-20-10-8-18(9-11-20)22(12-7-17-5-3-2-4-6-17)19(23)21-13-15-24-16-14-21/h2-6,18H,7-16H2,1H3
• InChIKey: POXCFMURTLONSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
• IUPAC Traditional name: N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)morpholine-4-carboxamide
• Synonyms: N-(1-methyl-4-piperidinyl)-N-(2-phenylethyl)-4-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.468649
• LogD (pH = 7.4): 0.29233477
• Log P: 1.3523104
• Molar Refractivity: 96.6226 cm^3
• Polarizability: 37.372665 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.43
• LOG S: -3.69
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 4