N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1-(propan-2-yl)piperidine-3-carboxamide

• ChemBase ID: 384455
• Molecular Formular: C18H30N4O
• Molecular Mass: 318.457
• Monoisotopic Mass: 318.2419616
• SMILES: c1(n(ncc1)CCCNC(=O)C1CN(C(C)C)CCC1)C1CC1
• Canonical SMILES: O=C(C1CCCN(C1)C(C)C)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C18H30N4O/c1-14(2)21-11-3-5-16(13-21)18(23)19-9-4-12-22-17(8-10-20-22)15-6-7-15/h8,10,14-16H,3-7,9,11-13H2,1-2H3,(H,19,23)
• InChIKey: PCJLJRUBZOKAHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1-(propan-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1-isopropylpiperidine-3-carboxamide
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1-isopropyl-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.867634
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9059768
• LogD (pH = 7.4): -0.78644496
• Log P: 1.5221753
• Molar Refractivity: 104.3032 cm^3
• Polarizability: 35.95568 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.0
• LOG S: -3.23
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 7