N,N-dimethyl-4-(3-phenylpiperazine-1-carbonyl)piperidine-1-carboxamide

• ChemBase ID: 690353
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: C(=O)(N1CCC(C(=O)N2CC(NCC2)c2ccccc2)CC1)N(C)C
• Canonical SMILES: O=C(N1CCNC(C1)c1ccccc1)C1CCN(CC1)C(=O)N(C)C
• InChI: InChI=1S/C19H28N4O2/c1-21(2)19(25)22-11-8-16(9-12-22)18(24)23-13-10-20-17(14-23)15-6-4-3-5-7-15/h3-7,16-17,20H,8-14H2,1-2H3
• InChIKey: ZYUDVPKXUXFTDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-4-(3-phenylpiperazine-1-carbonyl)piperidine-1-carboxamide
• IUPAC Traditional name: N,N-dimethyl-4-(3-phenylpiperazine-1-carbonyl)piperidine-1-carboxamide
• Synonyms: N,N-dimethyl-4-[(3-phenylpiperazin-1-yl)carbonyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2145042
• LogD (pH = 7.4): 0.27595022
• Log P: 0.4927024
• Molar Refractivity: 97.7651 cm^3
• Polarizability: 37.888424 Å^3
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.31
• LOG S: -2.83
• Polar Surface Area: 55.89 Å^2
• Rotatable Bonds: 2