N-methyl-4-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}-N-(oxan-2-ylmethyl)butanamide

• ChemBase ID: 552224
• Molecular Formular: C19H34N6O2
• Molecular Mass: 378.51226
• Monoisotopic Mass: 378.27432436
• SMILES: c1(n(nnn1)CCCC(=O)N(CC1OCCCC1)C)CN1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)Cc1nnnn1CCCC(=O)N(CC1CCCCO1)C
• InChI: InChI=1S/C19H34N6O2/c1-16-8-11-24(12-9-16)15-18-20-21-22-25(18)10-5-7-19(26)23(2)14-17-6-3-4-13-27-17/h16-17H,3-15H2,1-2H3
• InChIKey: RDYROTHOPMWPJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-{5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3,4-tetrazol-1-yl}-N-(oxan-2-ylmethyl)butanamide
• IUPAC Traditional name: N-methyl-4-{5-[(4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrazol-1-yl}-N-(oxan-2-ylmethyl)butanamide
• Synonyms: N-methyl-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}-N-(tetrahydro-2H-pyran-2-ylmethyl)butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.4240156
• LogD (pH = 7.4): 0.88685256
• Log P: 1.0118846
• Molar Refractivity: 118.1052 cm^3
• Polarizability: 40.532673 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.15
• LOG S: -1.89
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 8