N,2-dimethyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 494426
• Molecular Formular: C20H29N5O
• Molecular Mass: 355.47716
• Monoisotopic Mass: 355.23721057
• SMILES: c1(nc2c(n1C)cccc2)CN(C(=O)C1N(CC2(C1)CCNCC2)C)C
• Canonical SMILES: CN1CC2(CC1C(=O)N(Cc1nc3c(n1C)cccc3)C)CCNCC2
• InChI: InChI=1S/C20H29N5O/c1-23(13-18-22-15-6-4-5-7-16(15)25(18)3)19(26)17-12-20(14-24(17)2)8-10-21-11-9-20/h4-7,17,21H,8-14H2,1-3H3
• InChIKey: FRNQVZDZRTVJIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-[(1-methyl-1,3-benzodiazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N,2-dimethyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.1550403
• LogD (pH = 7.4): -2.847803
• Log P: 0.8369193
• Molar Refractivity: 102.8213 cm^3
• Polarizability: 41.320816 Å^3
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.41
• LOG S: -3.0
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 3