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

• ChemBase ID: 666830
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: N1(C(=O)C2CN(Cc3occc3)CCC2)Cc2n(ccc2)CC1
• Canonical SMILES: O=C(N1CCn2c(C1)ccc2)C1CCCN(C1)Cc1ccco1
• InChI: InChI=1S/C18H23N3O2/c22-18(21-10-9-20-8-2-5-16(20)13-21)15-4-1-7-19(12-15)14-17-6-3-11-23-17/h2-3,5-6,8,11,15H,1,4,7,9-10,12-14H2
• InChIKey: OZBVSJOQIKENCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-3-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}piperidine
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-3-{1H,3H,4H-pyrrolo[1,2-a]pyrazine-2-carbonyl}piperidine
• Synonyms: 2-{[1-(2-furylmethyl)-3-piperidinyl]carbonyl}-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3496321
• LogD (pH = 7.4): 0.3762861
• Log P: 1.6208264
• Molar Refractivity: 89.0117 cm^3
• Polarizability: 34.1813 Å^3
• Polar Surface Area: 41.62 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: 2.59
• LOG S: -3.7
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 3