1-[4-(morpholine-4-carbonyl)phenyl]-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidin-4-amine

• ChemBase ID: 855682
• Molecular Formular: C27H36N4O2
• Molecular Mass: 448.60034
• Monoisotopic Mass: 448.28382641
• SMILES: C(=O)(N1CCOCC1)c1ccc(N2CCC(CC2)NCCN2c3c(CCC2)cccc3)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CCC(CC1)NCCN1CCCc2c1cccc2)N1CCOCC1
• InChI: InChI=1S/C27H36N4O2/c32-27(31-18-20-33-21-19-31)23-7-9-25(10-8-23)29-15-11-24(12-16-29)28-13-17-30-14-3-5-22-4-1-2-6-26(22)30/h1-2,4,6-10,24,28H,3,5,11-21H2
• InChIKey: KMVJOMJKLYXORI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(morpholine-4-carbonyl)phenyl]-N-[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1-[4-(morpholine-4-carbonyl)phenyl]piperidin-4-amine
• Synonyms: N-[2-(3,4-dihydro-1(2H)-quinolinyl)ethyl]-1-[4-(4-morpholinylcarbonyl)phenyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.0025074838
• LogD (pH = 7.4): 0.954185
• Log P: 3.1987617
• Molar Refractivity: 135.0175 cm^3
• Polarizability: 50.77212 Å^3
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.63
• LOG S: -5.22
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 6