N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 632598
• Molecular Formular: C27H36N4O2
• Molecular Mass: 448.60034
• Monoisotopic Mass: 448.28382641
• SMILES: N1(C2Cc3c(C2)cccc3)CCC(CN(C(=O)CCc2nccnc2)CC2OCCC2)CC1
• Canonical SMILES: O=C(N(CC1CCCO1)CC1CCN(CC1)C1Cc2c(C1)cccc2)CCc1cnccn1
• InChI: InChI=1S/C27H36N4O2/c32-27(8-7-24-18-28-11-12-29-24)31(20-26-6-3-15-33-26)19-21-9-13-30(14-10-21)25-16-22-4-1-2-5-23(22)17-25/h1-2,4-5,11-12,18,21,25-26H,3,6-10,13-17,19-20H2
• InChIKey: GZHHYKMUKNZXIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)-3-(pyrazin-2-yl)propanamide
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]methyl}-3-(2-pyrazinyl)-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2378513
• LogD (pH = 7.4): 0.028238848
• Log P: 2.1533291
• Molar Refractivity: 129.7158 cm^3
• Polarizability: 50.520824 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.2
• LOG S: -4.08
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8