N-{imidazo[1,2-a]pyridin-3-ylmethyl}-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 413984
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: n12c(ncc1CNC(=O)C1CN(C3CCN(CC3)C)CCC1)cccc2
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)C(=O)NCc1cnc2n1cccc2
• InChI: InChI=1S/C20H29N5O/c1-23-11-7-17(8-12-23)24-9-4-5-16(15-24)20(26)22-14-18-13-21-19-6-2-3-10-25(18)19/h2-3,6,10,13,16-17H,4-5,7-9,11-12,14-15H2,1H3,(H,22,26)
• InChIKey: WSVYCCHENZAMAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1'-methyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.581668
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.432987
• LogD (pH = 7.4): -2.7243826
• Log P: 0.293505
• Molar Refractivity: 104.7545 cm^3
• Polarizability: 40.027126 Å^3
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.06
• LOG S: -1.83
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 4