2-{4-[1-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}thiophen-3-amine

• ChemBase ID: 865302
• Molecular Formular: C16H25N3O2S
• Molecular Mass: 323.4536
• Monoisotopic Mass: 323.16674806
• SMILES: c1(C(=O)N2CCC(C(N3CCOCC3)C)CC2)c(ccs1)N
• Canonical SMILES: CC(N1CCOCC1)C1CCN(CC1)C(=O)c1sccc1N
• InChI: InChI=1S/C16H25N3O2S/c1-12(18-7-9-21-10-8-18)13-2-5-19(6-3-13)16(20)15-14(17)4-11-22-15/h4,11-13H,2-3,5-10,17H2,1H3
• InChIKey: RGOHXNDXGXEGOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[1-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}thiophen-3-amine
• IUPAC Traditional name: 2-{4-[1-(morpholin-4-yl)ethyl]piperidine-1-carbonyl}thiophen-3-amine
• Synonyms: 2-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)-3-thiophenamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9018523
• LogD (pH = 7.4): 0.8715574
• Log P: 1.6906751
• Molar Refractivity: 90.2825 cm^3
• Polarizability: 33.990303 Å^3
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.07
• LOG S: -2.47
• Polar Surface Area: 58.8 Å^2
• Rotatable Bonds: 3