1-{3-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl}pyrrolidin-2-one

• ChemBase ID: 587295
• Molecular Formular: C22H37N3O2
• Molecular Mass: 375.54808
• Monoisotopic Mass: 375.28857744
• SMILES: N1(C(=O)CCN2C(=O)CCC2)CC2(CN(CC3CCCCC3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CC1CCCCC1)CCN1CCCC1=O
• InChI: InChI=1S/C22H37N3O2/c26-20-8-4-13-24(20)14-9-21(27)25-15-11-22(18-25)10-5-12-23(17-22)16-19-6-2-1-3-7-19/h19H,1-18H2
• InChIKey: LQOAZELNMXVTCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{3-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl}pyrrolidin-2-one
• IUPAC Traditional name: 1-{3-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl}pyrrolidin-2-one
• Synonyms: 1-{3-[7-(cyclohexylmethyl)-2,7-diazaspiro[4.5]dec-2-yl]-3-oxopropyl}-2-pyrrolidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8060834
• LogD (pH = 7.4): -0.96999794
• Log P: 1.6615379
• Molar Refractivity: 108.0808 cm^3
• Polarizability: 42.276676 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.91
• LOG S: -1.6
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5