1-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-3-(3-methylphenyl)piperidine

• ChemBase ID: 861588
• Molecular Formular: C22H30N2O2
• Molecular Mass: 354.4858
• Monoisotopic Mass: 354.23072821
• SMILES: N1(C(=O)C2CCN(C(=O)C3CC3)CC2)CC(c2cc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(c1)C1CCCN(C1)C(=O)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C22H30N2O2/c1-16-4-2-5-19(14-16)20-6-3-11-24(15-20)22(26)18-9-12-23(13-10-18)21(25)17-7-8-17/h2,4-5,14,17-18,20H,3,6-13,15H2,1H3
• InChIKey: GIVXBTLVVMOSMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-3-(3-methylphenyl)piperidine
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-3-(3-methylphenyl)piperidine
• Synonyms: 1-{[1-(cyclopropylcarbonyl)-4-piperidinyl]carbonyl}-3-(3-methylphenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7729435
• LogD (pH = 7.4): 2.7729445
• Log P: 2.7729445
• Molar Refractivity: 103.4058 cm^3
• Polarizability: 39.944794 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.12
• LOG S: -4.45
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3