2-[2-(propan-2-yl)-1H-imidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide

• ChemBase ID: 619413
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: n1(c(ncc1)C(C)C)C(C(=O)NC1CCN(Cc2ncccc2)CC1)C
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)NC1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C20H29N5O/c1-15(2)19-22-10-13-25(19)16(3)20(26)23-17-7-11-24(12-8-17)14-18-6-4-5-9-21-18/h4-6,9-10,13,15-17H,7-8,11-12,14H2,1-3H3,(H,23,26)
• InChIKey: FFDJNLXAJUHLHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(propan-2-yl)-1H-imidazol-1-yl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: 2-(2-isopropylimidazol-1-yl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]propanamide
• Synonyms: 2-(2-isopropyl-1H-imidazol-1-yl)-N-[1-(2-pyridinylmethyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.184838
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1208307
• LogD (pH = 7.4): 1.1816072
• Log P: 1.5235984
• Molar Refractivity: 102.2336 cm^3
• Polarizability: 39.860294 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.5
• LOG S: -0.92
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6