7-(cyclopropylmethyl)-2-[2-(1H-indol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 317211
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)Cn2ccc3c2cccc3)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)Cn1ccc2c1cccc2
• InChI: InChI=1S/C22H27N3O2/c26-20(15-23-12-8-18-4-1-2-5-19(18)23)25-13-10-22(16-25)9-3-11-24(21(22)27)14-17-6-7-17/h1-2,4-5,8,12,17H,3,6-7,9-11,13-16H2
• InChIKey: HDLQNQZHRJEZQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[2-(1H-indol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[2-(indol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(1H-indol-1-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1465616
• LogD (pH = 7.4): 2.146563
• Log P: 2.146563
• Molar Refractivity: 104.2963 cm^3
• Polarizability: 41.545444 Å^3
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.94
• LOG S: -4.38
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 4