N,N-dimethyl-3-[1-(6-methylquinolin-4-yl)piperidin-3-yl]propanamide

• ChemBase ID: 532224
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: N1(c2c3c(ncc2)ccc(c3)C)CC(CCC(=O)N(C)C)CCC1
• Canonical SMILES: Cc1ccc2c(c1)c(ccn2)N1CCCC(C1)CCC(=O)N(C)C
• InChI: InChI=1S/C20H27N3O/c1-15-6-8-18-17(13-15)19(10-11-21-18)23-12-4-5-16(14-23)7-9-20(24)22(2)3/h6,8,10-11,13,16H,4-5,7,9,12,14H2,1-3H3
• InChIKey: CORUUPWPSVCYNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[1-(6-methylquinolin-4-yl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N,N-dimethyl-3-[1-(6-methylquinolin-4-yl)piperidin-3-yl]propanamide
• Synonyms: N,N-dimethyl-3-[1-(6-methyl-4-quinolinyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8536766
• LogD (pH = 7.4): 2.4331238
• Log P: 3.1770098
• Molar Refractivity: 98.5457 cm^3
• Polarizability: 38.767563 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.91
• LOG S: -4.06
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4