8-(piperidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 669938
• Molecular Formular: C20H30N4O
• Molecular Mass: 342.4784
• Monoisotopic Mass: 342.2419616
• SMILES: N1(C(=O)CCC2(C1)CN(C1CCNCC1)CCC2)Cc1ccncc1
• Canonical SMILES: O=C1CCC2(CN1Cc1ccncc1)CCCN(C2)C1CCNCC1
• InChI: InChI=1S/C20H30N4O/c25-19-2-8-20(16-24(19)14-17-3-9-21-10-4-17)7-1-13-23(15-20)18-5-11-22-12-6-18/h3-4,9-10,18,22H,1-2,5-8,11-16H2
• InChIKey: FCIDVOJHZRKUCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(piperidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(piperidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(4-piperidinyl)-2-(4-pyridinylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.4255533
• LogD (pH = 7.4): -3.1124945
• Log P: 0.38117915
• Molar Refractivity: 99.6083 cm^3
• Polarizability: 39.126953 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -1.26
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 3