Found 86 results

Search term: MF = 'C_{29}H_{42}N_{4}O'
ChemSpider 2D Image | (3R,5R)-N-[(1-Ethyl-2-pyrrolidinyl)methyl]-1-(2-naphthylmethyl)-5-(1-pyrrolidinylmethyl)-3-piperidinecarboxamide | C29H42N4O

(3R,5R)-N-[(1-Ethyl-2-pyrrolidinyl)methyl]-1-(2-naphthylmethyl)-5-(1-pyrrolidinylmethyl)-3-piperidinecarboxamide

  • Molecular FormulaC29H42N4O
  • Average mass462.670 Da
  • Monoisotopic mass462.335876 Da
  • ChemSpider ID62705002

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,5R)-N-[(1-Ethyl-2-pyrrolidinyl)methyl]-1-(2-naphthylmethyl)-5-(1-pyrrolidinylmethyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5R)-N-[(1-Ethyl-2-pyrrolidinyl)methyl]-1-(2-naphthylmethyl)-5-(1-pyrrolidinylmethyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5R)-N-[(1-Éthyl-2-pyrrolidinyl)méthyl]-1-(2-naphtylméthyl)-5-(1-pyrrolidinylméthyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-naphthalenylmethyl)-5-(1-pyrrolidinylmethyl)-, (3R,5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 634.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.7±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 140.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 39 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 416.8±3.0 cm3

Click to predict properties on the Chemicalize site


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