N-({1-[4-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]piperidin-4-yl}methyl)acetamide

• ChemBase ID: 767971
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: C(=O)(N1CCN(CC1)C)c1cc(N2CCC(CNC(=O)C)CC2)ncc1
• Canonical SMILES: CN1CCN(CC1)C(=O)c1ccnc(c1)N1CCC(CC1)CNC(=O)C
• InChI: InChI=1S/C19H29N5O2/c1-15(25)21-14-16-4-7-23(8-5-16)18-13-17(3-6-20-18)19(26)24-11-9-22(2)10-12-24/h3,6,13,16H,4-5,7-12,14H2,1-2H3,(H,21,25)
• InChIKey: XIDQNLLAXRANGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({1-[4-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]piperidin-4-yl}methyl)acetamide
• IUPAC Traditional name: N-({1-[4-(4-methylpiperazine-1-carbonyl)pyridin-2-yl]piperidin-4-yl}methyl)acetamide
• Synonyms: N-[(1-{4-[(4-methyl-1-piperazinyl)carbonyl]-2-pyridinyl}-4-piperidinyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.322739
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2856992
• LogD (pH = 7.4): -0.008670957
• Log P: 0.09381193
• Molar Refractivity: 103.2087 cm^3
• Polarizability: 38.63261 Å^3
• Polar Surface Area: 68.78 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: -1.1
• LOG S: -2.19
• Polar Surface Area: 68.78 Å^2
• Rotatable Bonds: 4