9-(cyclopropylmethyl)-1-methyl-4-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 546263
• Molecular Formular: C19H32N4O3
• Molecular Mass: 364.48238
• Monoisotopic Mass: 364.2474409
• SMILES: C(=O)(N1CC2(N(CC1)C)CCN(C(=O)CC2)CC1CC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCN(C2(C1)CCC(=O)N(CC2)CC1CC1)C)N1CCOCC1
• InChI: InChI=1S/C19H32N4O3/c1-20-8-9-23(18(25)21-10-12-26-13-11-21)15-19(20)5-4-17(24)22(7-6-19)14-16-2-3-16/h16H,2-15H2,1H3
• InChIKey: ARKLUAZOBLAEEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(cyclopropylmethyl)-1-methyl-4-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-(cyclopropylmethyl)-1-methyl-4-(morpholine-4-carbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-(cyclopropylmethyl)-1-methyl-4-(morpholin-4-ylcarbonyl)-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): -2.6802676
• LogD (pH = 7.4): -0.98892826
• Log P: -0.54389584
• Molar Refractivity: 99.4068 cm^3
• Polarizability: 38.61315 Å^3
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 0.79
• LOG S: -2.53
• Polar Surface Area: 56.33 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4