1-(4-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-4-oxobutyl)piperidin-2-one

• ChemBase ID: 683367
• Molecular Formular: C17H29N3O4
• Molecular Mass: 339.42986
• Monoisotopic Mass: 339.21580642
• SMILES: N1(C(=O)CCCN2C(=O)CCCC2)CC2(OCC1)CNCCOC2
• Canonical SMILES: O=C(N1CCOC2(C1)CNCCOC2)CCCN1CCCCC1=O
• InChI: InChI=1S/C17H29N3O4/c21-15-4-1-2-7-19(15)8-3-5-16(22)20-9-11-24-17(13-20)12-18-6-10-23-14-17/h18H,1-14H2
• InChIKey: IGGOPTWVGKTGGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-4-oxobutyl)piperidin-2-one
• IUPAC Traditional name: 1-(4-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-4-oxobutyl)piperidin-2-one
• Synonyms: 1-[4-(1,8-dioxa-4,11-diazaspiro[5.6]dodec-4-yl)-4-oxobutyl]piperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.1099696
• LogD (pH = 7.4): -2.6188521
• Log P: -1.0851663
• Molar Refractivity: 89.3434 cm^3
• Polarizability: 35.2345 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.11
• LOG S: -2.89
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 4