1-[4-(morpholin-4-yl)benzoyl]-N-[4-(propan-2-yl)phenyl]piperidin-3-amine

• ChemBase ID: 507371
• Molecular Formular: C25H33N3O2
• Molecular Mass: 407.54842
• Monoisotopic Mass: 407.25727731
• SMILES: N1(C(=O)c2ccc(N3CCOCC3)cc2)CC(Nc2ccc(cc2)C(C)C)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCOCC1)N1CCCC(C1)Nc1ccc(cc1)C(C)C
• InChI: InChI=1S/C25H33N3O2/c1-19(2)20-5-9-22(10-6-20)26-23-4-3-13-28(18-23)25(29)21-7-11-24(12-8-21)27-14-16-30-17-15-27/h5-12,19,23,26H,3-4,13-18H2,1-2H3
• InChIKey: IRJQBDAIMLZQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholin-4-yl)benzoyl]-N-[4-(propan-2-yl)phenyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-isopropylphenyl)-1-[4-(morpholin-4-yl)benzoyl]piperidin-3-amine
• Synonyms: N-(4-isopropylphenyl)-1-[4-(4-morpholinyl)benzoyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.045368
• LogD (pH = 7.4): 4.144432
• Log P: 4.1458545
• Molar Refractivity: 124.1177 cm^3
• Polarizability: 46.29019 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: 2
• H Donor: 1
• Log P: 4.56
• LOG S: -5.23
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 4