1-{2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-4-ethylpiperazine

• ChemBase ID: 349962
• Molecular Formular: C24H37N3O3
• Molecular Mass: 415.56888
• Monoisotopic Mass: 415.28349206
• SMILES: c1(C(=O)N2CCN(CC2)CC)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: CCN1CCN(CC1)C(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H37N3O3/c1-3-25-14-16-27(17-15-25)24(28)22-18-21(29-2)8-9-23(22)30-20-10-12-26(13-11-20)19-6-4-5-7-19/h8-9,18-20H,3-7,10-17H2,1-2H3
• InChIKey: ZRIQSDYMWDKWCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-4-ethylpiperazine
• IUPAC Traditional name: 1-{2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxybenzoyl}-4-ethylpiperazine
• Synonyms: 1-{2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxybenzoyl}-4-ethylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.3364675
• LogD (pH = 7.4): 0.3453318
• Log P: 2.5413313
• Molar Refractivity: 120.5192 cm^3
• Polarizability: 46.685936 Å^3
• Polar Surface Area: 45.25 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: 3.38
• LOG S: -2.34
• Polar Surface Area: 45.25 Å^2
• Rotatable Bonds: 4