1-(1-benzylpiperidin-4-yl)-N,N-bis(prop-2-en-1-yl)piperidine-3-carboxamide

• ChemBase ID: 760366
• Molecular Formular: C24H35N3O
• Molecular Mass: 381.5542
• Monoisotopic Mass: 381.27801276
• SMILES: C1(C(=O)N(CC=C)CC=C)CN(C2CCN(CC2)Cc2ccccc2)CCC1
• Canonical SMILES: C=CCN(C(=O)C1CCCN(C1)C1CCN(CC1)Cc1ccccc1)CC=C
• InChI: InChI=1S/C24H35N3O/c1-3-14-26(15-4-2)24(28)22-11-8-16-27(20-22)23-12-17-25(18-13-23)19-21-9-6-5-7-10-21/h3-7,9-10,22-23H,1-2,8,11-20H2
• InChIKey: FFYNQYIRXIDCCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzylpiperidin-4-yl)-N,N-bis(prop-2-en-1-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-benzylpiperidin-4-yl)-N,N-bis(prop-2-en-1-yl)piperidine-3-carboxamide
• Synonyms: N,N-diallyl-1'-benzyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9316571
• LogD (pH = 7.4): 0.33341813
• Log P: 3.273376
• Molar Refractivity: 118.2207 cm^3
• Polarizability: 45.840645 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.67
• LOG S: -2.18
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 8