N-cyclopropyl-1-{1-[2-(1H-pyrazol-1-yl)acetyl]piperidin-4-yl}piperidine-3-carboxamide

• ChemBase ID: 330101
• Molecular Formular: C19H29N5O2
• Molecular Mass: 359.46586
• Monoisotopic Mass: 359.23212519
• SMILES: C(=O)(N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1)Cn1nccc1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)Cn1cccn1)NC1CC1
• InChI: InChI=1S/C19H29N5O2/c25-18(14-24-10-2-8-20-24)22-11-6-17(7-12-22)23-9-1-3-15(13-23)19(26)21-16-4-5-16/h2,8,10,15-17H,1,3-7,9,11-14H2,(H,21,26)
• InChIKey: PLLBCAANGNIWPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-{1-[2-(1H-pyrazol-1-yl)acetyl]piperidin-4-yl}piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-{1-[2-(pyrazol-1-yl)acetyl]piperidin-4-yl}piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-(1H-pyrazol-1-ylacetyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.636749
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.7134173
• LogD (pH = 7.4): -2.3874779
• Log P: -0.3423791
• Molar Refractivity: 110.2707 cm^3
• Polarizability: 38.376335 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.05
• LOG S: -3.17
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5