N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 483645
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: c1(n(ncc1)CCCNC(=O)CCC1N(C)CCCC1)C1CC1
• Canonical SMILES: O=C(CCC1CCCCN1C)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C18H30N4O/c1-21-13-3-2-5-16(21)8-9-18(23)19-11-4-14-22-17(10-12-20-22)15-6-7-15/h10,12,15-16H,2-9,11,13-14H2,1H3,(H,19,23)
• InChIKey: XIGLPOZZBQNPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.942561
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9544251
• LogD (pH = 7.4): -0.6769798
• Log P: 1.4335647
• Molar Refractivity: 104.2591 cm^3
• Polarizability: 35.95568 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.84
• LOG S: -3.09
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8