N-cycloheptyl-3-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]propanamide

• ChemBase ID: 819473
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(n(ccn1)C)C1CCN(CCC(=O)NC2CCCCCC2)CC1
• Canonical SMILES: O=C(NC1CCCCCC1)CCN1CCC(CC1)c1nccn1C
• InChI: InChI=1S/C19H32N4O/c1-22-15-11-20-19(22)16-8-12-23(13-9-16)14-10-18(24)21-17-6-4-2-3-5-7-17/h11,15-17H,2-10,12-14H2,1H3,(H,21,24)
• InChIKey: PBZFMNOXANCXBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cycloheptyl-3-[4-(1-methyl-1H-imidazol-2-yl)piperidin-1-yl]propanamide
• IUPAC Traditional name: N-cycloheptyl-3-[4-(1-methylimidazol-2-yl)piperidin-1-yl]propanamide
• Synonyms: N-cycloheptyl-3-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.660355
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7429755
• LogD (pH = 7.4): 0.49302962
• Log P: 2.0637112
• Molar Refractivity: 97.1946 cm^3
• Polarizability: 37.72508 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.13
• LOG S: -3.44
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5