4-{1-[1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]ethyl}morpholine

• ChemBase ID: 398561
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: c1(C(=O)N2CCC(C(N3CCOCC3)C)CC2)cc2c(cc1OC)CCC2
• Canonical SMILES: COc1cc2CCCc2cc1C(=O)N1CCC(CC1)C(N1CCOCC1)C
• InChI: InChI=1S/C22H32N2O3/c1-16(23-10-12-27-13-11-23)17-6-8-24(9-7-17)22(25)20-14-18-4-3-5-19(18)15-21(20)26-2/h14-17H,3-13H2,1-2H3
• InChIKey: BDCXKLWWLHUFBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]ethyl}morpholine
• IUPAC Traditional name: 4-{1-[1-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]ethyl}morpholine
• Synonyms: 4-(1-{1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)carbonyl]-4-piperidinyl}ethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.21420647
• LogD (pH = 7.4): 1.9876163
• Log P: 2.8067338
• Molar Refractivity: 108.0366 cm^3
• Polarizability: 41.337055 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.4
• LOG S: -3.96
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4