N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(piperidin-1-yl)acetamide

• ChemBase ID: 596119
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: c1(nc2c(C(NC(=O)CN3CCCCC3)CCC2)cn1)N(C)C
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)CN1CCCCC1
• InChI: InChI=1S/C17H27N5O/c1-21(2)17-18-11-13-14(7-6-8-15(13)20-17)19-16(23)12-22-9-4-3-5-10-22/h11,14H,3-10,12H2,1-2H3,(H,19,23)
• InChIKey: SSSNRTXNCIAZRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(piperidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(piperidin-1-yl)acetamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]-2-(1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.830704
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.56861943
• LogD (pH = 7.4): 1.0549927
• Log P: 1.3857539
• Molar Refractivity: 92.3431 cm^3
• Polarizability: 34.81625 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.96
• LOG S: -3.32
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 3