1-[4-(morpholin-4-yl)benzoyl]-N-phenylpiperidin-3-amine

• ChemBase ID: 475207
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: N1(C(=O)c2ccc(N3CCOCC3)cc2)CC(Nc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCOCC1)N1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C22H27N3O2/c26-22(18-8-10-21(11-9-18)24-13-15-27-16-14-24)25-12-4-7-20(17-25)23-19-5-2-1-3-6-19/h1-3,5-6,8-11,20,23H,4,7,12-17H2
• InChIKey: YUBSUVZVWPDRFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.851672
• LogD (pH = 7.4): 2.90019
• Log P: 2.9008453
• Molar Refractivity: 109.9269 cm^3
• Polarizability: 40.842014 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.13
• LOG S: -4.46
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 4