N,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-carboxamide

• ChemBase ID: 463637
• Molecular Formular: C22H29N3O
• Molecular Mass: 351.48516
• Monoisotopic Mass: 351.23106256
• SMILES: C(=O)(N(C1CN(CCCc2ccccc2)CCC1)C)c1cnc(cc1)C
• Canonical SMILES: Cc1ccc(cn1)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C22H29N3O/c1-18-12-13-20(16-23-18)22(26)24(2)21-11-7-15-25(17-21)14-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,21H,6-7,10-11,14-15,17H2,1-2H3
• InChIKey: JVEVEMIASSGHTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-carboxamide
• IUPAC Traditional name: N,6-dimethyl-N-[1-(3-phenylpropyl)piperidin-3-yl]pyridine-3-carboxamide
• Synonyms: N,6-dimethyl-N-[1-(3-phenylpropyl)-3-piperidinyl]nicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.11916012
• LogD (pH = 7.4): 1.8561157
• Log P: 3.126848
• Molar Refractivity: 106.5633 cm^3
• Polarizability: 40.93442 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.56
• LOG S: -4.11
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6