2-[4-(1-cyclopropanecarbonylpiperidine-4-carbonyl)piperazin-1-yl]-4,6-dimethylpyrimidine

• ChemBase ID: 769023
• Molecular Formular: C20H29N5O2
• Molecular Mass: 371.47656
• Monoisotopic Mass: 371.23212519
• SMILES: c1(N2CCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CC2)nc(cc(n1)C)C
• Canonical SMILES: O=C(N1CCN(CC1)c1nc(C)cc(n1)C)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C20H29N5O2/c1-14-13-15(2)22-20(21-14)25-11-9-24(10-12-25)19(27)17-5-7-23(8-6-17)18(26)16-3-4-16/h13,16-17H,3-12H2,1-2H3
• InChIKey: ANCAJSSNDUSCHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(1-cyclopropanecarbonylpiperidine-4-carbonyl)piperazin-1-yl]-4,6-dimethylpyrimidine
• IUPAC Traditional name: 2-[4-(1-cyclopropanecarbonylpiperidine-4-carbonyl)piperazin-1-yl]-4,6-dimethylpyrimidine
• Synonyms: 2-(4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]carbonyl}-1-piperazinyl)-4,6-dimethylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.55516094
• LogD (pH = 7.4): 0.6650336
• Log P: 0.666636
• Molar Refractivity: 103.9979 cm^3
• Polarizability: 39.244514 Å^3
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.65
• LOG S: -3.32
• Polar Surface Area: 69.64 Å^2
• Rotatable Bonds: 3