1-{4-[2-(cyclohexylmethyl)morpholine-4-carbonyl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 575805
• Molecular Formular: C19H32N2O3
• Molecular Mass: 336.46898
• Monoisotopic Mass: 336.24129289
• SMILES: N1(C(=O)C2CCN(C(=O)C)CC2)CC(OCC1)CC1CCCCC1
• Canonical SMILES: O=C(N1CCOC(C1)CC1CCCCC1)C1CCN(CC1)C(=O)C
• InChI: InChI=1S/C19H32N2O3/c1-15(22)20-9-7-17(8-10-20)19(23)21-11-12-24-18(14-21)13-16-5-3-2-4-6-16/h16-18H,2-14H2,1H3
• InChIKey: BAEPXQIATRHCSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[2-(cyclohexylmethyl)morpholine-4-carbonyl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 1-{4-[2-(cyclohexylmethyl)morpholine-4-carbonyl]piperidin-1-yl}ethanone
• Synonyms: 4-[(1-acetyl-4-piperidinyl)carbonyl]-2-(cyclohexylmethyl)morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.01
• LOG S: -1.76
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 0

JChem

• Molar Refractivity: 93.4245 cm^3
• Polarizability: 36.657654 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4527481
• LogD (pH = 7.4): 1.4527488
• Log P: 1.4527488