Methyl-(2-{(R)-(3-Chlorphenyl)[(3R)-1-({(2S)-2-(Methylamino)-3-[(3R)-Tetrahydro-2H-Pyran-3-Yl]Propyl}Carbamoyl)Piperidin-3-Yl]Methoxy}Ethyl)Carbamat

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Properties Simple | Detailed

Formula C26H41ClN4O5
IUPAC Name methyl n-[2-[(r)-(3-chlorophenyl)-[(3r)-1-[[(2s)-2-(methylamino)-3-[(3r)-tetrahydropyran-3-yl]propyl]carbamoyl]-3-piperidyl]methoxy]ethyl]carbamate
Molecular Mass 525.081 g·mol−1
Heat of Formation -977.9 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 646.47 Å 3
Surface Area 512.96 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • methyl n-[2-[(r)-(3-chlorophenyl)-[(3r)-1-[[(2s)-2-methylamino-3-[(3r)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate
  • methyl n-[2-[(r)-(3-chlorophenyl)-[(3r)-1-[[(2s)-2-methylamino-3-[(3r)-tetrahydropyran-3-yl]propyl]carbamoyl]-3-piperidyl]methoxy]ethyl]carbamate
  • n-[2-[(r)-(3-chlorophenyl)-[(3r)-1-[[(2s)-2-methylamino-3-[(3r)-tetrahydropyran-3-yl]propyl]carbamoyl]-3-piperidyl]methoxy]ethyl]carbamic acid methyl ester
  • n-[2-[(r)-(3-chlorophenyl)-[(3r)-1-[[[(2s)-2-methylamino-3-[(3r)-3-tetrahydropyranyl]propyl]amino]-oxomethyl]-3-piperidinyl]methoxy]ethyl]carbamic acid methyl ester
InChIKey NXWASIVXQMMPLM-ZXMXYHOLSA-N
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Elements H C Cl O N