N,N-diethyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide

• ChemBase ID: 570323
• Molecular Formular: C18H32N6O2
• Molecular Mass: 364.48568
• Monoisotopic Mass: 364.25867429
• SMILES: n1(c(nnc1CN1CCOCC1)C1CN(C(=O)N(CC)CC)CCC1)C
• Canonical SMILES: CCN(C(=O)N1CCCC(C1)c1nnc(n1C)CN1CCOCC1)CC
• InChI: InChI=1S/C18H32N6O2/c1-4-23(5-2)18(25)24-8-6-7-15(13-24)17-20-19-16(21(17)3)14-22-9-11-26-12-10-22/h15H,4-14H2,1-3H3
• InChIKey: GLOFNBQHHZTUEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
• IUPAC Traditional name: N,N-diethyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
• Synonyms: N,N-diethyl-3-[4-methyl-5-(morpholin-4-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.33242118
• LogD (pH = 7.4): -0.26692447
• Log P: -0.26602218
• Molar Refractivity: 103.3214 cm^3
• Polarizability: 38.778084 Å^3
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.15
• LOG S: -2.84
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 5