5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one

• ChemBase ID: 319844
• Molecular Formular: C22H37N3O4
• Molecular Mass: 407.54688
• Monoisotopic Mass: 407.27840668
• SMILES: C(=O)(C1CN(C(=O)CC1)CCCN1C(=O)CCC1)N1CCC(CC1)CCCOC
• Canonical SMILES: COCCCC1CCN(CC1)C(=O)C1CCC(=O)N(C1)CCCN1CCCC1=O
• InChI: InChI=1S/C22H37N3O4/c1-29-16-3-5-18-9-14-24(15-10-18)22(28)19-7-8-21(27)25(17-19)13-4-12-23-11-2-6-20(23)26/h18-19H,2-17H2,1H3
• InChIKey: CPVJJIYDVUEFMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
• IUPAC Traditional name: 5-[4-(3-methoxypropyl)piperidine-1-carbonyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidin-2-one
• Synonyms: 5-{[4-(3-methoxypropyl)-1-piperidinyl]carbonyl}-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-piperidinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.12683184
• LogD (pH = 7.4): -0.12683108
• Log P: -0.12683107
• Molar Refractivity: 112.0806 cm^3
• Polarizability: 43.41325 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.26
• LOG S: -0.84
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 8