1-(3-{[3-(2-oxoimidazolidin-1-yl)phenyl]formamido}propyl)piperidine-3-carboxamide

• ChemBase ID: 464203
• Molecular Formular: C19H27N5O3
• Molecular Mass: 373.44938
• Monoisotopic Mass: 373.21138975
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCCN2CC(C(=O)N)CCC2)ccc1
• Canonical SMILES: NC(=O)C1CCCN(C1)CCCNC(=O)c1cccc(c1)N1CCNC1=O
• InChI: InChI=1S/C19H27N5O3/c20-17(25)15-5-2-9-23(13-15)10-3-7-21-18(26)14-4-1-6-16(12-14)24-11-8-22-19(24)27/h1,4,6,12,15H,2-3,5,7-11,13H2,(H2,20,25)(H,21,26)(H,22,27)
• InChIKey: FPCFNDZIWNEFMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{[3-(2-oxoimidazolidin-1-yl)phenyl]formamido}propyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(3-{[3-(2-oxoimidazolidin-1-yl)phenyl]formamido}propyl)piperidine-3-carboxamide
• Synonyms: 1-(3-{[3-(2-oxoimidazolidin-1-yl)benzoyl]amino}propyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.587385
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.9042423
• LogD (pH = 7.4): -2.3917706
• Log P: -0.631376
• Molar Refractivity: 102.551 cm^3
• Polarizability: 38.90213 Å^3
• Polar Surface Area: 107.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.05
• LOG S: -2.34
• Polar Surface Area: 107.77 Å^2
• Rotatable Bonds: 7