1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-4-(morpholin-4-yl)butan-1-one

• ChemBase ID: 447185
• Molecular Formular: C23H41N3O2
• Molecular Mass: 391.59054
• Monoisotopic Mass: 391.31987757
• SMILES: N1(C(=O)CCCN2CCOCC2)CC2(CN(CC3CCCCC3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CC1CCCCC1)CCCN1CCOCC1
• InChI: InChI=1S/C23H41N3O2/c27-22(8-4-11-24-14-16-28-17-15-24)26-13-10-23(20-26)9-5-12-25(19-23)18-21-6-2-1-3-7-21/h21H,1-20H2
• InChIKey: RREUKYXGTHYXSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-4-(morpholin-4-yl)butan-1-one
• IUPAC Traditional name: 1-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-4-(morpholin-4-yl)butan-1-one
• Synonyms: 7-(cyclohexylmethyl)-2-[4-(4-morpholinyl)butanoyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.8880594
• LogD (pH = 7.4): -0.56467843
• Log P: 2.2778013
• Molar Refractivity: 114.7438 cm^3
• Polarizability: 45.129665 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.39
• LOG S: -1.3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6