ChemSpider 2D Image | (5S)-5-Butyl-9-{1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-methyl-4-piperidinyl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one | C31H49N5O4

(5S)-5-Butyl-9-{1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-methyl-4-piperidinyl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one

  • Molecular FormulaC31H49N5O4
  • Average mass555.752 Da
  • Monoisotopic mass555.378479 Da
  • ChemSpider ID24677598

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5S)-5-Butyl-9-{1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-methyl-4-piperidinyl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-on [German] [ACD/IUPAC Name]
(5S)-5-Butyl-9-{1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-methyl-4-piperidinyl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one [ACD/IUPAC Name]
(5S)-5-Butyl-9-{1-[(4,6-diméthyl-5-pyrimidinyl)carbonyl]-4-méthyl-4-pipéridinyl}-3-(tétrahydro-2H-pyran-4-ylméthyl)-1-oxa-3,9-diazaspiro[5.5]undécan-2-one [French] [ACD/IUPAC Name]
1-Oxa-3,9-diazaspiro[5.5]undecan-2-one, 5-butyl-9-[1-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4-methyl-4-piperidinyl]-3-[(tetrahydro-2H-pyran-4-yl)methyl]-, (5S)- [ACD/Index Name]
(5S)-5-Butyl-9-{1-[(4,6-dimethylpyrimidin-5-yl)carbonyl]-4-methylpiperidin-4-yl}-3-(tetrahydro-2H-pyran-4-ylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
1191914-21-2 [RN]
PharmaGSID_48521

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 743.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 403.2±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 154.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 6.61
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 50.65
ACD/KOC (pH 7.4): 281.50
Polar Surface Area: 88 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 465.5±5.0 cm3

Click to predict properties on the Chemicalize site


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