(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

• ChemBase ID: 536416
• Molecular Formular: C19H28ClN3O2
• Molecular Mass: 365.89752
• Monoisotopic Mass: 365.18700483
• SMILES: C(=O)(N1CCC(CN2CCOCC2)CC1)[C@@H](Cc1ccc(Cl)cc1)N
• Canonical SMILES: N[C@@H](C(=O)N1CCC(CC1)CN1CCOCC1)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C19H28ClN3O2/c20-17-3-1-15(2-4-17)13-18(21)19(24)23-7-5-16(6-8-23)14-22-9-11-25-12-10-22/h1-4,16,18H,5-14,21H2/t18-/m1/s1
• InChIKey: WCGINDXHXOUDOD-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: (2R)-2-amino-3-(4-chlorophenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
• Synonyms: (2R)-3-(4-chlorophenyl)-1-[4-(4-morpholinylmethyl)-1-piperidinyl]-1-oxo-2-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1335883
• LogD (pH = 7.4): 0.304982
• Log P: 1.5909756
• Molar Refractivity: 100.8803 cm^3
• Polarizability: 39.628567 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.04
• LOG S: -3.61
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 5