ChemSpider 2D Image | 4-Amino-5-chloro-N-[(3S,4R)-1-{4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamide | C25H40ClN5O4

4-Amino-5-chloro-N-[(3S,4R)-1-{4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamide

  • Molecular FormulaC25H40ClN5O4
  • Average mass510.069 Da
  • Monoisotopic mass509.276886 Da
  • ChemSpider ID114894

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Amino-5-chlor-N-[(3S,4R)-1-{4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamid [German] [ACD/IUPAC Name]
4-Amino-5-chloro-N-[(3S,4R)-1-{4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl}-3-methoxy-4-piperidinyl]-2-methoxybenzamide [ACD/IUPAC Name]
4-Amino-5-chloro-N-[(3S,4R)-1-{4-[4-(diméthylamino)-1-pipéridinyl]-4-oxobutyl}-3-méthoxy-4-pipéridinyl]-2-méthoxybenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-amino-5-chloro-N-[(3S,4R)-1-[4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl]-3-methoxy-4-piperidinyl]-2-methoxy- [ACD/Index Name]
122866-79-9 [RN]
4-Amino-5-chloro-N-(1-(4-(4-(dimethylamino)-1-piperidinyl)-4-oxobutyl)-3-methoxy-4-piperidinyl)-2-methoxybenzamide
Benzamide, 4-amino-5-chloro-N-(1-(4-(4-(dimethylamino)-1-piperidinyl)-4-oxobutyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis-
BENZAMIDE,4-AMINO-5-CHLORO-N-[(3R,4S)-1-[4-[4-(DIMETHYLAMINO)-1-PIPERIDINYL]-4-OXOBUTYL]-3-METHOXY-4-PIPERIDINYL]-2-METHOXY-,REL-

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

R 76186 [DBID]
R-76186 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 354.2±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.71
Polar Surface Area: 100 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 410.2±5.0 cm3

Click to predict properties on the Chemicalize site


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