1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}piperidine

• ChemBase ID: 824128
• Molecular Formular: C22H32N4O2
• Molecular Mass: 384.51508
• Monoisotopic Mass: 384.25252628
• SMILES: N1(C(=O)C2CN(C3CCN(C(=O)C4CC4)CC3)CCC2)Cc2n(ccc2)CC1
• Canonical SMILES: O=C(N1CCn2c(C1)ccc2)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C22H32N4O2/c27-21(17-5-6-17)24-11-7-19(8-12-24)25-10-1-3-18(15-25)22(28)26-14-13-23-9-2-4-20(23)16-26/h2,4,9,17-19H,1,3,5-8,10-16H2
• InChIKey: FNAWJFAFONFXRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}piperidine
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-{1H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}piperidine
• Synonyms: 1'-(cyclopropylcarbonyl)-3-(3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.527179
• LogD (pH = 7.4): -1.2798022
• Log P: 0.8696033
• Molar Refractivity: 109.1297 cm^3
• Polarizability: 42.211662 Å^3
• Polar Surface Area: 48.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.31
• LOG S: -3.98
• Polar Surface Area: 48.79 Å^2
• Rotatable Bonds: 3