N-(3-methylphenyl)-3-[1-(morpholine-2-carbonyl)piperidin-4-yl]propanamide

• ChemBase ID: 695656
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C(=O)(N1CCC(CC1)CCC(=O)Nc1cc(ccc1)C)C1OCCNC1
• Canonical SMILES: O=C(Nc1cccc(c1)C)CCC1CCN(CC1)C(=O)C1CNCCO1
• InChI: InChI=1S/C20H29N3O3/c1-15-3-2-4-17(13-15)22-19(24)6-5-16-7-10-23(11-8-16)20(25)18-14-21-9-12-26-18/h2-4,13,16,18,21H,5-12,14H2,1H3,(H,22,24)
• InChIKey: XUVPRNHJYBKKNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylphenyl)-3-[1-(morpholine-2-carbonyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-(3-methylphenyl)-3-[1-(morpholine-2-carbonyl)piperidin-4-yl]propanamide
• Synonyms: N-(3-methylphenyl)-3-[1-(morpholin-2-ylcarbonyl)piperidin-4-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.218673
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.6203592
• LogD (pH = 7.4): 1.0760336
• Log P: 1.5729743
• Molar Refractivity: 102.0899 cm^3
• Polarizability: 39.203964 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.92
• LOG S: -2.61
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5