1-(2-methoxybenzoyl)-4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperazine

• ChemBase ID: 460583
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: C(=O)(c1c(OC)cccc1)N1CCN(C(=O)C2CN(CC2)CCOC)CC1
• Canonical SMILES: COCCN1CCC(C1)C(=O)N1CCN(CC1)C(=O)c1ccccc1OC
• InChI: InChI=1S/C20H29N3O4/c1-26-14-13-21-8-7-16(15-21)19(24)22-9-11-23(12-10-22)20(25)17-5-3-4-6-18(17)27-2/h3-6,16H,7-15H2,1-2H3
• InChIKey: WELKOAPZZKMATK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxybenzoyl)-4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperazine
• IUPAC Traditional name: 1-(2-methoxybenzoyl)-4-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperazine
• Synonyms: 1-(2-methoxybenzoyl)-4-{[1-(2-methoxyethyl)-3-pyrrolidinyl]carbonyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.9008842
• LogD (pH = 7.4): -1.346988
• Log P: 0.33857
• Molar Refractivity: 103.7291 cm^3
• Polarizability: 39.7711 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.04
• LOG S: -3.21
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6